 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Boat_STD_M11-def2SVPDr.in
 Output=25_methylisochromane_Boat_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/25_methylisochromane_Boat_STD/Gau-41743.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/25_methylisochromane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     41747.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=25_methylisochromane_Boat_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 15:25:06 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "25_methylisochromane_Boat_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.556893000000      0.962771000000     -0.130925000000
  C                                                 2.806469000000     -0.381564000000      0.128707000000
  C                                                 1.251477000000      1.398833000000     -0.297104000000
  C                                                 0.177898000000      0.511952000000     -0.211676000000
  C                                                 0.433041000000     -0.835657000000      0.047582000000
  C                                                 1.746757000000     -1.271183000000      0.213760000000
  C                                                -1.245374000000      1.001383000000     -0.374974000000
  C                                                -2.153843000000     -0.180074000000     -0.705730000000
  O                                                -1.975330000000     -1.227911000000      0.235605000000
  C                                                -0.702105000000     -1.829642000000      0.110251000000
  H                                                 3.377111000000      1.665240000000     -0.203600000000
  H                                                 3.821503000000     -0.731857000000      0.264537000000
  H                                                 1.055538000000      2.445124000000     -0.502408000000
  H                                                 1.938106000000     -2.319299000000      0.415829000000
  H                                                -1.275680000000      1.696610000000     -1.220779000000
  C                                                -1.728541000000      1.739012000000      0.880156000000
  H                                                -1.947031000000     -0.549488000000     -1.719780000000
  H                                                -3.204706000000      0.105294000000     -0.652132000000
  H                                                -0.679840000000     -2.462779000000     -0.790780000000
  H                                                -0.587050000000     -2.485409000000      0.974413000000
  H                                                -1.772163000000      1.053131000000      1.726763000000
  H                                                -2.725724000000      2.156512000000      0.723367000000
  H                                                -1.053454000000      2.555217000000      1.139441000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 15:25:06 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391738   0.000000
     3  C    1.386318   2.401901   0.000000
     4  C    2.422679   2.797073   1.395144   0.000000
     5  C    2.788719   2.417838   2.404494   1.395838   0.000000
     6  C    2.401183   1.386234   2.763199   2.412858   1.393968
     7  C    3.810287   4.310878   2.529485   1.513906   2.523955
     8  C    4.881345   5.034042   3.775729   2.481936   2.772947
     9  O    5.047225   4.857297   4.194740   2.804207   2.447339
    10  C    4.298465   3.795703   3.795454   2.522123   1.510129
    11  H    1.082359   2.150690   2.144303   3.400750   3.871063
    12  H    2.151138   1.082335   3.385309   3.879394   3.396987
    13  H    2.142297   3.384410   1.084097   2.142879   3.384304
    14  H    3.384349   2.142734   3.847628   3.392356   2.145232
    15  H    4.051533   4.775339   2.707096   2.129458   3.307695
    16  C    4.470993   5.062394   3.222138   2.516403   3.463313
    17  H    5.009663   5.103025   4.006297   2.813602   2.978289
    18  H    5.848329   6.081198   4.653693   3.435314   3.822066
    19  H    4.758807   4.163083   4.345774   3.149619   2.142167
    20  H    4.795424   4.081342   4.481548   3.313024   2.149717
    21  H    4.711677   5.057272   3.654852   2.802349   3.354116
    22  H    5.482780   6.115604   4.175352   3.465531   4.403130
    23  H    4.145397   4.954318   2.951879   2.741656   3.860032
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.803158   0.000000
     8  C    4.153392   1.526616   0.000000
     9  O    3.722403   2.423921   1.419838   0.000000
    10  C    2.513865   2.923232   2.344023   1.413823   0.000000
    11  H    3.384498   4.673055   5.852245   6.100152   5.380772
    12  H    2.144300   5.393175   6.078704   5.818091   4.657463
    13  H    3.847287   2.719342   4.151281   4.818922   4.662433
    14  H    1.084432   4.667638   4.751655   4.066767   2.702565
    15  H    4.472228   1.095283   2.135038   3.341166   3.812490
    16  C    4.645757   1.533916   2.525630   3.046142   3.792310
    17  H    4.231252   2.169338   1.098879   2.069925   2.556883
    18  H    5.211664   2.172274   1.090239   2.019128   3.253954
    19  H    2.883986   3.534564   2.718577   2.063167   1.101460
    20  H    2.738538   3.796308   3.254580   2.013569   1.090891
    21  H    4.480448   2.167368   2.753815   2.732761   3.473977
    22  H    5.657904   2.175342   2.798035   3.500760   4.512247
    23  H    4.831087   2.178230   3.478121   3.997353   4.517706
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.482481   0.000000
    13  H    2.467226   4.281586   0.000000
    14  H    4.281469   2.467802   4.931715   0.000000
    15  H    4.762783   5.838227   2.551648   5.397632   0.000000
    16  C    5.219928   6.106322   3.187660   5.489061   2.149607
    17  H    5.962408   6.103012   4.411929   4.773609   2.396804
    18  H    6.779006   7.135034   4.862808   5.785128   2.564525
    19  H    5.817574   4.936788   5.213656   2.886197   4.223795
    20  H    5.859196   4.797313   5.402708   2.591529   4.773087
    21  H    5.533173   6.050900   3.860407   5.182464   3.057542
    22  H    6.192351   7.170731   3.985444   6.471381   2.468571
    23  H    4.714417   5.944369   2.675002   5.764890   2.521355
                   16         17         18         19         20
    16  C    0.000000
    17  H    3.470538   0.000000
    18  H    2.682537   1.774925   0.000000
    19  H    4.641858   2.475782   3.604049   0.000000
    20  H    4.376942   3.585528   4.026104   1.767775   0.000000
    21  H    1.090449   3.804947   2.934232   4.460136   3.806808
    22  H    1.092366   3.727971   2.515734   5.274100   5.117068
    23  H    1.090487   4.314257   3.720180   5.389399   5.064847
                   21         22         23
    21  H    0.000000
    22  H    1.770178   0.000000
    23  H    1.765716   1.768776   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.64D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9809331           1.0075309           0.7304582
 Leave Link  202 at Fri Jul 23 15:25:06 2021, MaxMem= 10737418240 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   341 symmetry adapted cartesian basis functions of A   symmetry.
 There are   319 symmetry adapted basis functions of A   symmetry.
   319 basis functions,   475 primitive gaussians,   341 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       608.7582623565 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 15:25:08 2021, MaxMem= 10737418240 cpu:              14.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   319 RedAO= T EigKep=  4.90D-06  NBF=   319
 NBsUse=   319 1.00D-06 EigRej= -1.00D+00 NBFU=   319
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   341   341   341   341   341 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Fri Jul 23 15:25:09 2021, MaxMem= 10737418240 cpu:               7.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 15:25:09 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Boat_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 15:25:10 2021, MaxMem= 10737418240 cpu:               8.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737176835 LenY= 10737060113
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -462.877027270877    
 DIIS: error= 4.39D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -462.877027270877     IErMin= 1 ErrMin= 4.39D-03
 ErrMax= 4.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-02 BMatP= 1.61D-02
 IDIUse=3 WtCom= 9.56D-01 WtEn= 4.39D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.397 Goal=   None    Shift=    0.000
 GapD=    0.397 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.13D-02 MaxDP=6.12D-01              OVMax= 1.92D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.02D-02    CP:  1.16D+00
 E= -462.894391759725     Delta-E=       -0.017364488847 Rises=F Damp=F
 DIIS: error= 7.78D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -462.894391759725     IErMin= 2 ErrMin= 7.78D-04
 ErrMax= 7.78D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.97D-04 BMatP= 1.61D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.78D-03
 Coeff-Com: -0.287D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.285D-01 0.103D+01
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=2.49D-03 MaxDP=1.11D-01 DE=-1.74D-02 OVMax= 9.45D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.28D-03    CP:  1.21D+00  1.12D+00
 E= -462.894953333827     Delta-E=       -0.000561574102 Rises=F Damp=F
 DIIS: error= 9.14D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -462.894953333827     IErMin= 2 ErrMin= 7.78D-04
 ErrMax= 9.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.57D-04 BMatP= 6.97D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.14D-03
 Coeff-Com: -0.631D-01 0.500D+00 0.563D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.625D-01 0.495D+00 0.567D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=2.75D-04 MaxDP=1.35D-02 DE=-5.62D-04 OVMax= 4.20D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.49D-04    CP:  1.22D+00  1.14D+00  1.06D+00
 E= -462.895327297653     Delta-E=       -0.000373963826 Rises=F Damp=F
 DIIS: error= 1.40D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -462.895327297653     IErMin= 4 ErrMin= 1.40D-04
 ErrMax= 1.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-05 BMatP= 5.57D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.40D-03
 Coeff-Com: -0.802D-02-0.138D-01 0.114D+00 0.908D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.801D-02-0.138D-01 0.114D+00 0.908D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=9.98D-05 MaxDP=3.62D-03 DE=-3.74D-04 OVMax= 1.18D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.99D-05    CP:  1.22D+00  1.14D+00  1.09D+00  1.05D+00
 E= -462.895343666362     Delta-E=       -0.000016368710 Rises=F Damp=F
 DIIS: error= 2.79D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -462.895343666362     IErMin= 5 ErrMin= 2.79D-05
 ErrMax= 2.79D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.10D-07 BMatP= 1.47D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.252D-02-0.326D-01-0.218D-01 0.162D+00 0.890D+00
 Coeff:      0.252D-02-0.326D-01-0.218D-01 0.162D+00 0.890D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=2.70D-05 MaxDP=7.67D-04 DE=-1.64D-05 OVMax= 3.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.04D-05    CP:  1.22D+00  1.14D+00  1.10D+00  1.09D+00  1.10D+00
 E= -462.895344848786     Delta-E=       -0.000001182424 Rises=F Damp=F
 DIIS: error= 9.13D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -462.895344848786     IErMin= 6 ErrMin= 9.13D-06
 ErrMax= 9.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-07 BMatP= 8.10D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-02-0.965D-02-0.150D-01-0.263D-02 0.284D+00 0.742D+00
 Coeff:      0.123D-02-0.965D-02-0.150D-01-0.263D-02 0.284D+00 0.742D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=8.72D-06 MaxDP=3.15D-04 DE=-1.18D-06 OVMax= 1.20D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.64D-06    CP:  1.22D+00  1.14D+00  1.10D+00  1.09D+00  1.14D+00
                    CP:  1.02D+00
 E= -462.895344999441     Delta-E=       -0.000000150655 Rises=F Damp=F
 DIIS: error= 3.84D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -462.895344999441     IErMin= 7 ErrMin= 3.84D-06
 ErrMax= 3.84D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-08 BMatP= 1.16D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.685D-04 0.141D-02-0.193D-02-0.231D-01-0.420D-01 0.210D+00
 Coeff-Com:  0.856D+00
 Coeff:      0.685D-04 0.141D-02-0.193D-02-0.231D-01-0.420D-01 0.210D+00
 Coeff:      0.856D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=3.43D-06 MaxDP=1.03D-04 DE=-1.51D-07 OVMax= 6.29D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.10D-06    CP:  1.22D+00  1.14D+00  1.10D+00  1.09D+00  1.16D+00
                    CP:  1.10D+00  1.05D+00
 E= -462.895345024281     Delta-E=       -0.000000024839 Rises=F Damp=F
 DIIS: error= 1.32D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -462.895345024281     IErMin= 8 ErrMin= 1.32D-06
 ErrMax= 1.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.06D-09 BMatP= 1.48D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.146D-03 0.184D-02 0.144D-02-0.736D-02-0.526D-01-0.323D-01
 Coeff-Com:  0.290D+00 0.799D+00
 Coeff:     -0.146D-03 0.184D-02 0.144D-02-0.736D-02-0.526D-01-0.323D-01
 Coeff:      0.290D+00 0.799D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.13D-06 MaxDP=3.26D-05 DE=-2.48D-08 OVMax= 2.25D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.39D-07    CP:  1.22D+00  1.14D+00  1.10D+00  1.09D+00  1.16D+00
                    CP:  1.12D+00  1.12D+00  1.05D+00
 E= -462.895345027445     Delta-E=       -0.000000003164 Rises=F Damp=F
 DIIS: error= 2.62D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -462.895345027445     IErMin= 9 ErrMin= 2.62D-07
 ErrMax= 2.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.89D-11 BMatP= 2.06D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.303D-04 0.234D-03 0.401D-03 0.199D-03-0.682D-02-0.213D-01
 Coeff-Com: -0.672D-02 0.148D+00 0.886D+00
 Coeff:     -0.303D-04 0.234D-03 0.401D-03 0.199D-03-0.682D-02-0.213D-01
 Coeff:     -0.672D-02 0.148D+00 0.886D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=3.37D-07 MaxDP=8.00D-06 DE=-3.16D-09 OVMax= 5.37D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.32D-07    CP:  1.22D+00  1.14D+00  1.10D+00  1.09D+00  1.16D+00
                    CP:  1.12D+00  1.13D+00  1.11D+00  1.09D+00
 E= -462.895345027609     Delta-E=       -0.000000000164 Rises=F Damp=F
 DIIS: error= 9.83D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -462.895345027609     IErMin=10 ErrMin= 9.83D-08
 ErrMax= 9.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-11 BMatP= 8.89D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.325D-05-0.985D-04-0.331D-05 0.774D-03 0.284D-02-0.393D-02
 Coeff-Com: -0.295D-01-0.329D-01 0.270D+00 0.793D+00
 Coeff:      0.325D-05-0.985D-04-0.331D-05 0.774D-03 0.284D-02-0.393D-02
 Coeff:     -0.295D-01-0.329D-01 0.270D+00 0.793D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.11D-07 MaxDP=3.08D-06 DE=-1.64D-10 OVMax= 1.94D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.28D-08    CP:  1.22D+00  1.14D+00  1.10D+00  1.09D+00  1.16D+00
                    CP:  1.12D+00  1.13D+00  1.12D+00  1.12D+00  1.09D+00
 E= -462.895345027590     Delta-E=        0.000000000019 Rises=F Damp=F
 DIIS: error= 4.78D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -462.895345027609     IErMin=11 ErrMin= 4.78D-08
 ErrMax= 4.78D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-12 BMatP= 1.34D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.444D-05-0.539D-04-0.454D-04 0.210D-03 0.156D-02 0.108D-02
 Coeff-Com: -0.684D-02-0.253D-01-0.223D-01 0.227D+00 0.825D+00
 Coeff:      0.444D-05-0.539D-04-0.454D-04 0.210D-03 0.156D-02 0.108D-02
 Coeff:     -0.684D-02-0.253D-01-0.223D-01 0.227D+00 0.825D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=4.11D-08 MaxDP=1.21D-06 DE= 1.91D-11 OVMax= 7.90D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.85D-08    CP:  1.22D+00  1.14D+00  1.10D+00  1.09D+00  1.16D+00
                    CP:  1.12D+00  1.13D+00  1.12D+00  1.13D+00  1.17D+00
                    CP:  1.11D+00
 E= -462.895345027621     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 2.08D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -462.895345027621     IErMin=12 ErrMin= 2.08D-08
 ErrMax= 2.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-13 BMatP= 1.62D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.515D-06 0.293D-06-0.987D-05-0.470D-04-0.279D-04 0.732D-03
 Coeff-Com:  0.262D-02-0.206D-02-0.440D-01-0.392D-01 0.215D+00 0.867D+00
 Coeff:      0.515D-06 0.293D-06-0.987D-05-0.470D-04-0.279D-04 0.732D-03
 Coeff:      0.262D-02-0.206D-02-0.440D-01-0.392D-01 0.215D+00 0.867D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.72D-08 MaxDP=8.69D-07 DE=-3.12D-11 OVMax= 4.75D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.81D-09    CP:  1.22D+00  1.14D+00  1.10D+00  1.09D+00  1.16D+00
                    CP:  1.12D+00  1.13D+00  1.11D+00  1.13D+00  1.19D+00
                    CP:  1.20D+00  1.11D+00
 E= -462.895345027612     Delta-E=        0.000000000009 Rises=F Damp=F
 DIIS: error= 9.07D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -462.895345027621     IErMin=13 ErrMin= 9.07D-09
 ErrMax= 9.07D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.34D-14 BMatP= 2.23D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.547D-06 0.870D-05 0.497D-05-0.473D-04-0.273D-03 0.755D-05
 Coeff-Com:  0.194D-02 0.358D-02-0.994D-02-0.464D-01-0.837D-01 0.247D+00
 Coeff-Com:  0.888D+00
 Coeff:     -0.547D-06 0.870D-05 0.497D-05-0.473D-04-0.273D-03 0.755D-05
 Coeff:      0.194D-02 0.358D-02-0.994D-02-0.464D-01-0.837D-01 0.247D+00
 Coeff:      0.888D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=8.16D-09 MaxDP=3.13D-07 DE= 8.87D-12 OVMax= 2.60D-07

 SCF Done:  E(RM11) =  -462.895345028     A.U. after   13 cycles
            NFock= 13  Conv=0.82D-08     -V/T= 2.0121
 KE= 4.573564479502D+02 PE=-2.290427738430D+03 EE= 7.614176830954D+02
 Leave Link  502 at Fri Jul 23 15:27:26 2021, MaxMem= 10737418240 cpu:            2168.9 elap:             135.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   319
 NBasis=   319 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    319 NOA=    40 NOB=    40 NVA=   279 NVB=   279

 **** Warning!!: The largest alpha MO coefficient is  0.70710239D+02

 Leave Link  801 at Fri Jul 23 15:27:27 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6946 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.86D-13 8.33D-09 XBig12= 1.00D+00 3.72D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.86D-13 8.33D-09 XBig12= 1.66D-01 7.02D-02.
     11 vectors produced by pass  2 Test12= 1.86D-13 8.33D-09 XBig12= 2.77D-02 5.65D-02.
     11 vectors produced by pass  3 Test12= 1.86D-13 8.33D-09 XBig12= 2.51D-03 1.32D-02.
     11 vectors produced by pass  4 Test12= 1.86D-13 8.33D-09 XBig12= 2.79D-04 3.05D-03.
     11 vectors produced by pass  5 Test12= 1.86D-13 8.33D-09 XBig12= 2.20D-05 6.76D-04.
     11 vectors produced by pass  6 Test12= 1.86D-13 8.33D-09 XBig12= 7.45D-07 1.32D-04.
     11 vectors produced by pass  7 Test12= 1.86D-13 8.33D-09 XBig12= 2.41D-08 2.51D-05.
     11 vectors produced by pass  8 Test12= 1.86D-13 8.33D-09 XBig12= 7.38D-10 5.14D-06.
     11 vectors produced by pass  9 Test12= 1.86D-13 8.33D-09 XBig12= 2.69D-11 8.85D-07.
      9 vectors produced by pass 10 Test12= 1.86D-13 8.33D-09 XBig12= 7.62D-13 1.35D-07.
      1 vectors produced by pass 11 Test12= 1.86D-13 8.33D-09 XBig12= 2.08D-14 1.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.146072D+03
      2 -0.232649D+01  0.128067D+03
      3  0.271070D+01 -0.390715D+01  0.848886D+02
 Isotropic polarizability for W=    0.085645      119.68 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.137793D+03  0.138860D+02  0.293229D+01
      2  -0.697793D+02  0.697257D+01  0.937276D+01
      3  -0.680141D+02 -0.208586D+02 -0.123050D+02
      4   0.509297D+02  0.663349D+02 -0.278162D+02
      5   0.257960D+01 -0.288979D+02 -0.188886D+02
      6  -0.128980D+02  0.816381D+01  0.148100D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.228344D+01 -0.509652D+01 -0.113393D+02
      2   0.716579D+01 -0.123624D+02 -0.586967D+01
      3   0.610449D+01 -0.478972D+02  0.935141D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.108173D+01 -0.120895D+01 -0.356686D+02
      2   0.352693D+00 -0.149182D+02  0.491255D+02
      3   0.370437D+02 -0.136114D+03  0.159999D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.177595D+01 -0.624351D+00  0.148060D+01
      2  -0.624351D+00  0.208787D+01  0.256814D+01
      3   0.148060D+01  0.256814D+01 -0.103951D+01
 OR G Eigenvalues:    -3.7663    -0.4989     3.5376  Iso=     0.2425
 Eigenvectors:
   (1)  -0.626524  -0.368180   0.686958
   (2)   0.778524  -0.337452   0.529175
   (3)   0.036984   0.866354   0.498059
 w=    0.085645 a.u., Optical Rotation Beta=      0.2425 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =       77.61 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   51040 ScalPx= 7.02D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   51040 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.59D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.10D-14 2.78D-09 XBig12= 1.00D+00 2.85D-01.
     30 vectors produced by pass  1 Test12= 3.10D-14 2.78D-09 XBig12= 4.34D-02 4.98D-02.
     30 vectors produced by pass  2 Test12= 3.10D-14 2.78D-09 XBig12= 1.89D-03 7.90D-03.
     30 vectors produced by pass  3 Test12= 3.10D-14 2.78D-09 XBig12= 4.04D-05 9.86D-04.
     30 vectors produced by pass  4 Test12= 3.10D-14 2.78D-09 XBig12= 8.31D-07 1.40D-04.
     30 vectors produced by pass  5 Test12= 3.10D-14 2.78D-09 XBig12= 1.24D-08 1.20D-05.
     30 vectors produced by pass  6 Test12= 3.10D-14 2.78D-09 XBig12= 1.51D-10 1.22D-06.
     30 vectors produced by pass  7 Test12= 3.10D-14 2.78D-09 XBig12= 1.50D-12 1.18D-07.
     23 vectors produced by pass  8 Test12= 3.10D-14 2.78D-09 XBig12= 1.23D-14 1.22D-08.
      6 vectors produced by pass  9 Test12= 3.10D-14 2.78D-09 XBig12= 6.13D-15 8.83D-09.
      2 vectors produced by pass 10 Test12= 3.10D-14 2.78D-09 XBig12= 2.23D-15 7.08D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   271 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   51040 ScalPx= 1.10D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   51040 ScalPx= 1.10D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   51040 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.11D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146072D+03 -0.232649D+01  0.271070D+01
      2  -0.232649D+01  0.128067D+03 -0.390715D+01
      3   0.271070D+01 -0.390715D+01  0.848886D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.228344D+01 -0.509652D+01 -0.113393D+02
      2   0.716579D+01 -0.123624D+02 -0.586967D+01
      3   0.610449D+01 -0.478972D+02  0.935141D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.137793D+03  0.138860D+02  0.293229D+01
      2  -0.697793D+02  0.697257D+01  0.937276D+01
      3  -0.680141D+02 -0.208586D+02 -0.123050D+02
      4   0.509297D+02  0.663349D+02 -0.278162D+02
      5   0.257960D+01 -0.288979D+02 -0.188886D+02
      6  -0.128980D+02  0.816381D+01  0.148100D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.206476D+01  0.156752D+01 -0.269609D+00  0.349772D+01 -0.112160D+01
      2   0.156752D+01  0.157864D+01 -0.468746D+00 -0.112160D+01  0.229367D+01
      3  -0.269609D+00 -0.468746D+00  0.195077D+01  0.861761D+00  0.835955D+00
                 6             7             8             9            10 
      1   0.861761D+00 -0.120111D+01  0.756446D+00  0.383682D+01  0.457091D+01
      2   0.835955D+00  0.756446D+00  0.642266D+00  0.262940D+01 -0.896405D+00
      3   0.145409D+01  0.383682D+01  0.262940D+01 -0.387542D+00 -0.438616D+00
                11            12            13            14            15 
      1  -0.896405D+00 -0.438616D+00 -0.152273D+01 -0.108347D+01  0.103445D+01
      2   0.230256D+01 -0.926895D-01 -0.108347D+01 -0.249850D+01 -0.693962D+00
      3  -0.926895D-01  0.215007D+01  0.103445D+01 -0.693962D+00 -0.629043D+00
                16            17            18            19            20 
      1  -0.161120D-01  0.117224D+01  0.471210D+01  0.796176D-01 -0.444554D+01
      2   0.117224D+01  0.146807D+00 -0.122793D+01 -0.444554D+01  0.243228D+00
      3   0.471210D+01 -0.122793D+01  0.101216D+01  0.211573D+00 -0.152509D+00
                21            22            23            24            25 
      1   0.211573D+00  0.421339D+01 -0.966169D+00 -0.935103D-01 -0.565769D+00
      2  -0.152509D+00 -0.966169D+00  0.152097D+01  0.955941D+00 -0.871101D+00
      3  -0.444489D+00 -0.935103D-01  0.955941D+00  0.166264D+01  0.129027D+00
                26            27            28            29            30 
      1  -0.871101D+00  0.129027D+00 -0.110181D+02  0.530051D+01 -0.270070D+00
      2   0.118301D+01  0.321902D+01  0.530051D+01 -0.539495D+01  0.149980D+00
      3   0.321902D+01 -0.224270D+01 -0.270070D+00  0.149980D+00 -0.157651D+01
                31            32            33            34            35 
      1   0.898438D+01  0.138508D+01 -0.610509D+00 -0.208702D+01 -0.816911D+00
      2   0.138508D+01  0.226385D+01 -0.302827D+00 -0.816911D+00 -0.267624D+00
      3  -0.610509D+00 -0.302827D+00  0.459429D+00 -0.291311D+01  0.177082D+01
                36            37            38            39            40 
      1  -0.291311D+01 -0.129737D+01 -0.410318D+01  0.477505D+00 -0.119980D+02
      2   0.177082D+01 -0.410318D+01 -0.623768D+01  0.285399D+00 -0.230160D+01
      3  -0.689324D+00  0.477505D+00  0.285399D+00 -0.117289D+01 -0.387455D+00
                41            42            43            44            45 
      1  -0.230160D+01 -0.387455D+00  0.289017D+01 -0.124066D+00 -0.187189D+01
      2  -0.514151D+01 -0.143196D+00 -0.124066D+00 -0.362610D+00 -0.266740D+01
      3  -0.143196D+00 -0.926590D+00 -0.187189D+01 -0.266740D+01  0.406073D+00
                46            47            48            49            50 
      1  -0.283909D+01  0.322372D+01 -0.263972D+00 -0.371693D+01  0.235568D+00
      2   0.322372D+01  0.256732D+01  0.457863D+00  0.235568D+00 -0.825803D+00
      3  -0.263972D+00  0.457863D+00 -0.116648D+00  0.685258D-01 -0.849691D+00
                51            52            53            54            55 
      1   0.685258D-01  0.287611D+00  0.529126D+00  0.128589D+01  0.157028D+01
      2  -0.849691D+00  0.529126D+00 -0.136480D+01 -0.318161D+01 -0.582612D+00
      3  -0.170698D+01  0.128589D+01 -0.318161D+01  0.191802D+01 -0.271472D+00
                56            57            58            59            60 
      1  -0.582612D+00 -0.271472D+00 -0.203950D+01  0.433237D+01  0.132447D+01
      2   0.299097D+01  0.155427D+01  0.433237D+01 -0.157798D+01  0.190130D+01
      3   0.155427D+01  0.165359D+01  0.132447D+01  0.190130D+01 -0.384686D+01
                61            62            63            64            65 
      1  -0.195486D+01  0.197971D+01  0.343597D+01  0.689796D+01 -0.262650D+01
      2   0.197971D+01  0.718851D+00 -0.487494D+01 -0.262650D+01 -0.156635D+01
      3   0.343597D+01 -0.487494D+01  0.132946D+01 -0.276263D-01 -0.101314D+01
                66            67            68            69            70 
      1  -0.276263D-01 -0.408210D+01 -0.101972D+01 -0.990651D+00 -0.222019D+00
      2  -0.101314D+01 -0.101972D+01  0.250060D-01 -0.131253D+01 -0.374894D+00
      3  -0.191057D+01 -0.990651D+00 -0.131253D+01  0.156472D+01 -0.111296D+00
                71            72            73            74            75 
      1  -0.374894D+00 -0.111296D+00 -0.607557D+01 -0.523533D+00  0.995183D+00
      2  -0.894800D+00  0.335996D+01 -0.523533D+00  0.902064D+00  0.788138D+00
      3   0.335996D+01  0.604232D+01  0.995183D+00  0.788138D+00  0.167263D+00
                76            77            78            79            80 
      1   0.648117D+00 -0.161980D+01  0.468874D+00  0.119705D+01 -0.709005D-01
      2  -0.161980D+01 -0.300036D+01  0.134824D+01 -0.709005D-01  0.147040D+01
      3   0.468874D+00  0.134824D+01 -0.395954D-01 -0.122142D+01 -0.197179D+01
                81            82            83            84            85 
      1  -0.122142D+01  0.245545D+01 -0.431955D-01  0.710326D-01  0.127171D+01
      2  -0.197179D+01 -0.431955D-01 -0.997298D+00 -0.206679D+00  0.342252D+01
      3   0.548277D+00  0.710326D-01 -0.206679D+00 -0.908380D+00  0.403972D+00
                86            87            88            89            90 
      1   0.342252D+01  0.403972D+00  0.325988D+00  0.998683D+00  0.121489D+01
      2   0.829161D+01  0.497180D+00  0.998683D+00  0.176606D+01  0.634539D+01
      3   0.497180D+00  0.375145D+01  0.121489D+01  0.634539D+01  0.641645D+00
                91            92            93            94            95 
      1   0.785007D+01  0.438343D+01 -0.392683D+00  0.450860D+01  0.421261D+01
      2   0.438343D+01  0.311953D+01 -0.218699D+00  0.421261D+01  0.454401D+01
      3  -0.392683D+00 -0.218699D+00  0.786590D+00 -0.514136D+00 -0.414856D+00
                96            97            98            99           100 
      1  -0.514136D+00 -0.374233D+00 -0.432255D+00  0.193321D+00  0.121837D+02
      2  -0.414856D+00 -0.432255D+00 -0.622840D+00  0.222689D+00 -0.292058D+01
      3   0.705412D+00  0.193321D+00  0.222689D+00 -0.131415D+00  0.120814D+01
               101           102           103           104           105 
      1  -0.292058D+01  0.120814D+01 -0.293106D+01  0.238934D+01 -0.595753D+00
      2   0.144613D+01 -0.283082D+00  0.238934D+01 -0.142221D+01  0.313695D+00
      3  -0.283082D+00  0.106813D+01 -0.595753D+00  0.313695D+00 -0.396587D+00
               106           107           108           109           110 
      1   0.148594D+01 -0.609984D+00  0.318936D+00 -0.455288D+00  0.137038D+01
      2  -0.609984D+00  0.420460D+00 -0.181743D+00  0.137038D+01 -0.919010D+00
      3   0.318936D+00 -0.181743D+00  0.240425D+00 -0.223966D+00  0.280826D+00
               111           112           113           114           115 
      1  -0.223966D+00  0.113267D+01 -0.506099D+00  0.292758D-01 -0.226260D+00
      2   0.280826D+00 -0.506099D+00  0.970992D+01 -0.170342D+01  0.280464D+00
      3  -0.161240D+00  0.292758D-01 -0.170342D+01  0.123562D+01  0.488841D-01
               116           117           118           119           120 
      1   0.280464D+00  0.488841D-01  0.114667D+01 -0.174941D+01  0.380885D+00
      2  -0.188847D+01  0.532669D+00 -0.174941D+01  0.171348D+01 -0.385272D+00
      3   0.532669D+00 -0.352886D+00  0.380885D+00 -0.385272D+00  0.329709D+00
               121           122           123           124           125 
      1  -0.167300D+01  0.246202D+01 -0.451057D+00  0.274204D+00 -0.553460D+00
      2   0.246202D+01 -0.100979D+02  0.168286D+01 -0.553460D+00  0.189021D+01
      3  -0.451057D+00  0.168286D+01 -0.124090D+01  0.251561D+00 -0.573919D+00
               126           127           128           129           130 
      1   0.251561D+00 -0.269523D+00  0.922331D+00 -0.119793D+01  0.206629D+01
      2  -0.573919D+00  0.922331D+00 -0.571362D+00  0.894566D-01 -0.190588D+01
      3   0.374411D+00 -0.119793D+01  0.894566D-01 -0.618453D+00  0.477120D+00
               131           132           133           134           135 
      1  -0.190588D+01  0.477120D+00 -0.166348D+01  0.788309D+00 -0.156132D+01
      2   0.437519D+01 -0.256591D+01  0.788309D+00 -0.268534D+01  0.324100D+01
      3  -0.256591D+01  0.291167D+01 -0.156132D+01  0.324100D+01 -0.518973D+01
               136           137           138           139           140 
      1   0.577346D+01 -0.474805D+01  0.157415D+00 -0.254812D+01 -0.187536D+01
      2  -0.474805D+01 -0.105783D+01 -0.211113D+01 -0.187536D+01 -0.111134D+01
      3   0.157415D+00 -0.211113D+01 -0.125562D+01 -0.225306D+01 -0.126534D+01
               141           142           143           144           145 
      1  -0.225306D+01  0.403324D+01 -0.375331D+01 -0.204706D+01 -0.557055D+00
      2  -0.126534D+01 -0.375331D+01  0.365274D+00  0.372370D+01 -0.115025D+00
      3   0.331303D+01 -0.204706D+01  0.372370D+01 -0.808123D+00 -0.107362D+01
               146           147           148           149           150 
      1  -0.115025D+00 -0.107362D+01 -0.935941D-01 -0.150318D+00 -0.310520D+00
      2   0.535440D+00  0.285126D+00 -0.150318D+00 -0.151393D+01 -0.171180D+01
      3   0.285126D+00  0.104947D+01 -0.310520D+00 -0.171180D+01 -0.218106D+01
               151           152           153           154           155 
      1  -0.140569D+01 -0.301641D+00 -0.149075D+01 -0.118766D+02  0.138073D+01
      2  -0.301641D+00 -0.168250D+01 -0.202287D+01  0.138073D+01 -0.117707D+01
      3  -0.149075D+01 -0.202287D+01 -0.875430D+01 -0.103725D+01  0.139860D+00
               156           157           158           159           160 
      1  -0.103725D+01  0.234313D+01 -0.152868D+01  0.361152D+00  0.205092D+00
      2   0.139860D+00 -0.152868D+01  0.948107D+00  0.673910D-02  0.775858D-01
      3  -0.108493D+01  0.361152D+00  0.673910D-02  0.646306D-01 -0.140213D+01
               161           162           163           164           165 
      1   0.775858D-01 -0.140213D+01 -0.595735D+00 -0.105470D+01 -0.103661D+01
      2   0.264067D+00 -0.110926D-01 -0.105470D+01  0.299737D+00 -0.664307D-01
      3  -0.110926D-01 -0.602838D+00 -0.103661D+01 -0.664307D-01 -0.149581D+00
               166           167           168           169           170 
      1  -0.145257D+01 -0.160582D+01 -0.463355D+00 -0.245648D+01 -0.128467D+01
      2  -0.160582D+01 -0.728834D+01 -0.283384D+01 -0.128467D+01 -0.536569D+01
      3  -0.463355D+00 -0.283384D+01 -0.221535D+01 -0.884936D+00 -0.435635D+01
               171           172           173           174           175 
      1  -0.884936D+00 -0.604976D-01 -0.560302D+00  0.936293D+00 -0.114443D+01
      2  -0.435635D+01 -0.560302D+00  0.620360D+00 -0.241834D+00 -0.124060D+01
      3  -0.414546D+01  0.936293D+00 -0.241834D+00  0.223856D+00  0.289757D+00
               176           177           178           179           180 
      1  -0.124060D+01  0.289757D+00  0.165295D+01  0.709402D+00 -0.594271D+00
      2  -0.623282D+01  0.278547D+01  0.709402D+00  0.413908D+01 -0.398750D+01
      3   0.278547D+01 -0.245609D+01 -0.594271D+00 -0.398750D+01  0.409840D+01
               181           182           183           184           185 
      1  -0.903784D+00 -0.649270D-01  0.882366D+00 -0.926764D+00  0.162574D+00
      2  -0.649270D-01  0.110190D+00  0.297990D+00  0.162574D+00 -0.189385D+01
      3   0.882366D+00  0.297990D+00 -0.109481D+00  0.853389D+00  0.108478D+01
               186           187           188           189           190 
      1   0.853389D+00  0.100831D+01  0.450083D+00 -0.953586D+00 -0.101627D+02
      2   0.108478D+01  0.450083D+00  0.128061D+01 -0.134248D+01  0.455809D+01
      3  -0.299296D+01 -0.953586D+00 -0.134248D+01  0.544132D+01  0.685407D+00
               191           192           193           194           195 
      1   0.455809D+01  0.685407D+00  0.357648D+01 -0.278841D+01 -0.264784D-01
      2  -0.298526D+01 -0.369892D+00 -0.278841D+01  0.295384D+01  0.385704D+00
      3  -0.369892D+00 -0.125545D+01 -0.264784D-01  0.385704D+00  0.255018D+00
               196           197           198           199           200 
      1  -0.132331D+01  0.779575D+00 -0.103443D+01  0.151835D+01  0.172723D+01
      2   0.779575D+00 -0.613035D+00  0.256791D+00  0.172723D+01  0.247717D+01
      3  -0.103443D+01  0.256791D+00 -0.160354D+00  0.497623D+00  0.128119D+01
               201           202           203           204           205 
      1   0.497623D+00  0.188630D+01  0.111144D+01  0.523743D+00  0.135785D+00
      2   0.128119D+01  0.111144D+01  0.567839D+01  0.199952D+01  0.671567D+00
      3   0.138480D+01  0.523743D+00  0.199952D+01  0.125430D+01  0.658790D+00
               206           207 
      1   0.671567D+00  0.658790D+00
      2   0.146063D+01  0.109817D+01
      3   0.109817D+01  0.141216D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.590362D+00 -0.743128D+00 -0.273178D+01 -0.150960D+01  0.863952D+00
      2  -0.104859D+01 -0.395347D+00  0.486649D+01  0.228288D+01  0.189312D+01
      3  -0.411463D+01 -0.118072D+02  0.112989D+01  0.779978D+01 -0.396036D+00
                 6             7             8             9            10 
      1  -0.285976D+00 -0.714228D+01  0.587635D+01 -0.217574D+01 -0.456319D+00
      2   0.473989D+01  0.109317D+01  0.998211D+01 -0.156951D+01  0.669396D+00
      3  -0.164051D+01 -0.124703D+01 -0.285340D+01 -0.374758D+01  0.326564D+01
                11            12            13            14            15 
      1  -0.279537D+00  0.134381D+01 -0.271834D+00  0.205458D+01  0.941030D+00
      2  -0.433224D-01  0.645936D+01  0.357296D+01 -0.818011D+00 -0.233625D+01
      3  -0.960693D+01  0.528120D+00  0.996719D+01 -0.400968D+00  0.224873D+01
                16            17            18            19            20 
      1   0.444733D+01  0.102023D+02 -0.132654D+01  0.551850D+00  0.973484D+00
      2   0.701003D+01 -0.563807D+01  0.267337D+01  0.263279D+01 -0.330504D+01
      3  -0.307182D+01  0.183426D+01  0.144135D+01  0.523568D+01 -0.680173D+01
                21            22            23            24            25 
      1   0.174907D+01  0.765099D-01 -0.314076D+00 -0.296483D+01  0.217248D+01
      2  -0.972097D+00 -0.162464D+01 -0.504550D-01  0.323812D+01 -0.130740D+02
      3   0.242429D+01  0.446863D+01 -0.692396D+01 -0.643066D+00  0.241458D+01
                26            27            28            29            30 
      1   0.854729D+00  0.146117D+01 -0.687262D+00 -0.170013D+00  0.109480D+01
      2   0.471541D+01 -0.417699D+01 -0.129238D+01  0.212786D+01 -0.246924D+01
      3  -0.233042D+01 -0.690954D+01 -0.798495D+00  0.993657D+01 -0.912743D+00
                31            32            33            34            35 
      1  -0.779578D+00  0.191653D+01 -0.169041D+00  0.214784D+01  0.880543D+01
      2   0.192844D+01 -0.831706D+00  0.294208D-01 -0.145589D+02  0.145600D+01
      3   0.117444D+02 -0.104046D+02 -0.160956D+01  0.108682D+01  0.281586D+01
                36            37            38            39            40 
      1  -0.104515D+01  0.132436D+01 -0.634981D+00 -0.583187D+00 -0.139112D+01
      2  -0.350928D+00  0.122303D+01  0.640206D+00 -0.161082D+01 -0.273019D+01
      3  -0.197419D+01 -0.572701D+01  0.576820D+01 -0.219747D+01  0.113148D+02
                41            42            43            44            45 
      1   0.454820D+00 -0.813518D+00 -0.339651D+01  0.759436D+01 -0.720574D+00
      2   0.283998D+01 -0.604751D+00 -0.134632D+02 -0.894825D+00 -0.135865D+01
      3   0.154851D+02  0.946077D+00 -0.428107D+00 -0.233186D+01  0.338347D+01
                46            47            48            49            50 
      1  -0.333749D-01  0.780079D+00 -0.697812D+00  0.120017D+01 -0.322075D+00
      2  -0.103965D+01 -0.173298D+01 -0.714393D-01 -0.198489D+01 -0.207574D+01
      3  -0.599463D+00 -0.122965D+02  0.150710D+01  0.107065D+01  0.438631D+01
                51            52            53            54            55 
      1  -0.242800D+01  0.189997D+01  0.125885D+01  0.281989D+00  0.604040D+00
      2  -0.453399D+01 -0.100355D+02 -0.837630D+01  0.345170D+01 -0.580614D+00
      3   0.121513D+01  0.153742D+01  0.114786D+01  0.685489D+01  0.319845D+01
                56            57            58            59            60 
      1  -0.311534D+01 -0.268129D+01 -0.208894D+01 -0.374374D+01  0.828176D+00
      2  -0.130206D+01  0.137389D+01 -0.311033D+01  0.469681D-01  0.654934D+01
      3  -0.115345D+01  0.182509D+01  0.131976D+02  0.620010D+01  0.676579D+01
                61            62            63            64            65 
      1  -0.680152D+01  0.970175D+01  0.606174D-01  0.294547D+01  0.181074D+01
      2  -0.113837D+02  0.946135D+01 -0.708158D-01  0.855113D+01 -0.164415D+01
      3   0.420360D+00  0.656640D+01 -0.491871D+01 -0.114071D+02 -0.758851D+01
                66            67            68            69            70 
      1   0.168760D+01 -0.197587D+00  0.230978D+01  0.121104D+01  0.226214D+01
      2   0.625985D+01 -0.257845D+01  0.145833D+01 -0.602458D+01 -0.263091D+01
      3  -0.349161D+01 -0.507689D+01  0.169590D+01 -0.473357D+01  0.985209D+00
                71            72            73            74            75 
      1   0.205222D+01 -0.259759D+01  0.600435D+00  0.773204D+00  0.585725D+00
      2  -0.100688D+02 -0.162755D+02  0.119320D+01 -0.112068D+01  0.595409D+01
      3  -0.327329D+01  0.753658D+01  0.138471D+02 -0.679512D+01  0.850486D+00
                76            77            78            79            80 
      1  -0.925292D+00  0.222510D+01 -0.758252D+01 -0.429100D+01  0.186256D+01
      2   0.287152D+00 -0.426809D+01 -0.306911D+00 -0.330592D+01  0.529096D+01
      3   0.317900D+01 -0.586509D+01  0.561021D+01 -0.292299D+01  0.764403D+01
                81            82            83            84            85 
      1   0.433119D+01 -0.724650D-01  0.454783D+00 -0.413414D+01  0.117057D+01
      2  -0.195471D+01 -0.215193D+01  0.526830D+00 -0.129939D+01  0.563794D+00
      3  -0.246903D+01 -0.550348D+01 -0.252827D+00 -0.898678D+00  0.836857D+01
                86            87            88            89            90 
      1   0.150908D+01  0.947919D+01  0.597079D+01  0.218295D+02  0.157581D+01
      2  -0.731760D-02 -0.572229D+00 -0.541039D+01 -0.476133D+01  0.179702D+00
      3  -0.335441D+01 -0.105787D+01 -0.179562D+01 -0.276116D+01  0.346171D+01
                91            92            93            94            95 
      1  -0.154200D+00 -0.402689D+00 -0.235251D+01  0.192087D+00 -0.156735D+00
      2   0.294931D+00  0.199910D+00  0.418688D+01 -0.821043D+00 -0.630341D+00
      3  -0.265055D+01 -0.598904D+01  0.754212D-01 -0.539836D+01 -0.941011D+01
                96            97            98            99           100 
      1  -0.234949D+01  0.998589D+00  0.996149D+00  0.116174D+00  0.204944D+00
      2   0.342542D+01 -0.127338D+01 -0.532880D+00 -0.201498D+00  0.174026D+01
      3   0.587728D+00  0.755260D+00  0.116650D+01 -0.263329D+00  0.260341D+01
               101           102           103           104           105 
      1   0.390770D+00  0.144456D+01 -0.757845D-01 -0.123310D+00 -0.783930D+00
      2  -0.406356D+00  0.615288D+01 -0.171801D+01  0.832206D+00 -0.219118D+01
      3  -0.584527D+01  0.260008D+00 -0.525110D+01  0.407199D+01 -0.693543D+00
               106           107           108           109           110 
      1  -0.633320D+00  0.541667D+00  0.164946D+00 -0.356687D+00 -0.502065D-01
      2  -0.170827D+01  0.266298D+00  0.610383D+00 -0.651882D+00  0.727929D+00
      3   0.130546D+01 -0.115416D+01  0.399111D+00 -0.431460D+01  0.392124D+01
               111           112           113           114           115 
      1   0.765949D+00  0.391575D+00 -0.100856D+01 -0.456127D+01 -0.294483D+00
      2  -0.202133D+00  0.992440D+00 -0.243139D+01  0.120758D+01 -0.144568D+01
      3  -0.678816D+00  0.613402D+01 -0.155746D+02  0.271796D+01 -0.131865D+01
               116           117           118           119           120 
      1   0.206793D+01  0.618799D+00  0.855673D-01 -0.404098D+00  0.985929D+00
      2   0.695106D+00 -0.254278D+00  0.420436D+00 -0.361963D+00  0.816214D+00
      3   0.339404D+01 -0.385734D+00  0.167609D+01 -0.723375D+00  0.264792D+00
               121           122           123           124           125 
      1  -0.221940D+00 -0.391967D+00 -0.459317D+01 -0.416737D-01  0.184985D+01
      2  -0.105956D+00  0.319372D+01 -0.286866D+01 -0.102399D+01 -0.288597D+00
      3   0.107676D+01  0.172192D+02 -0.285204D+01 -0.810666D-01 -0.310721D+01
               126           127           128           129           130 
      1   0.685693D+00  0.100103D+01  0.398191D+00  0.886620D+00 -0.659663D-01
      2   0.638291D+00  0.148331D+01  0.232600D+00  0.904318D+00  0.904815D+00
      3   0.152951D+00  0.211294D+01 -0.179910D+01 -0.162357D+01  0.136228D+01
               131           132           133           134           135 
      1   0.233445D-01 -0.379147D+01  0.202942D+01 -0.394125D+00  0.505042D+01
      2   0.278392D+01 -0.429866D+01 -0.666755D+00 -0.426504D+01  0.659731D+01
      3   0.530947D+01 -0.425229D+01 -0.199814D+01 -0.475673D+01  0.439100D+01
               136           137           138           139           140 
      1  -0.586432D+01  0.208962D+01  0.479678D+00  0.522835D+01 -0.537641D+00
      2  -0.667597D+01  0.108381D+02  0.580366D+01  0.977771D+01  0.336084D+01
      3   0.200952D+01 -0.169899D+02 -0.479779D+01 -0.911833D+01 -0.781636D+01
               141           142           143           144           145 
      1  -0.128803D+02  0.467551D+00 -0.732788D+01  0.545876D+01  0.117598D+00
      2  -0.431979D+01  0.208397D+01 -0.514575D+01  0.296246D+01  0.276812D+01
      3  -0.877276D+01 -0.271820D+01 -0.932801D+01  0.461566D+01  0.474543D+00
               146           147           148           149           150 
      1  -0.157492D+01 -0.123323D-01 -0.272671D+00  0.267932D+01  0.642063D+00
      2  -0.532652D+00 -0.299729D+01 -0.560250D+00  0.389852D+01  0.480432D+01
      3   0.171482D+01  0.661868D+00  0.260396D+01 -0.400272D+01 -0.386233D+01
               151           152           153           154           155 
      1  -0.286193D-01  0.485680D+01  0.650013D+00 -0.119778D+01  0.137760D+01
      2  -0.129884D+01  0.455291D+01  0.198286D+02 -0.797392D+01  0.829581D+00
      3   0.393687D+00 -0.472003D+01 -0.357227D+01  0.456921D+01 -0.686669D+01
               156           157           158           159           160 
      1   0.174035D+00  0.129442D+01 -0.113255D+01 -0.885108D+00 -0.350755D+00
      2   0.482516D+01  0.130391D+01 -0.114043D+01 -0.442256D+00  0.289310D+01
      3   0.637202D+00 -0.318579D+01  0.372011D+01  0.461993D+00  0.630426D+00
               161           162           163           164           165 
      1   0.442144D+00  0.394442D+00 -0.276993D+01  0.136112D+00 -0.349247D+00
      2   0.179238D+00  0.352625D+00 -0.207400D+00 -0.493098D+00  0.113504D+01
      3   0.127135D+01  0.472639D-01  0.154006D+01  0.169617D+01  0.325149D+01
               166           167           168           169           170 
      1  -0.157400D+01 -0.560464D+01 -0.729698D+01 -0.251085D+01 -0.907076D+01
      2  -0.377031D+00  0.122053D+01  0.126771D+01 -0.576295D+00  0.229232D+01
      3   0.341164D+01 -0.281805D+01 -0.124231D+01  0.704052D+01 -0.655935D+00
               171           172           173           174           175 
      1  -0.109191D+02  0.199789D+01 -0.280222D+00  0.720973D+00  0.102942D+01
      2   0.175799D+01 -0.123783D+00  0.465137D+00  0.253752D+00  0.678293D+00
      3  -0.192420D+01 -0.458564D+00 -0.645417D+00 -0.260243D+01  0.270415D+01
               176           177           178           179           180 
      1   0.489790D+01 -0.690295D+01 -0.175009D+01 -0.739676D+01  0.980283D+01
      2  -0.223713D+01  0.171244D+01 -0.153510D+01  0.262981D+01 -0.287846D+01
      3  -0.267669D+01  0.225538D+01 -0.478037D+01  0.273729D+01 -0.304963D+01
               181           182           183           184           185 
      1  -0.188318D+01 -0.211748D+00  0.762663D+00 -0.118552D+01 -0.728177D+01
      2  -0.102793D+01 -0.345926D+00  0.132869D-01  0.275495D+00 -0.242717D+01
      3  -0.161550D+01 -0.275383D+00  0.202143D+01 -0.788404D-01 -0.484544D+01
               186           187           188           189           190 
      1   0.623189D+01  0.210147D+01  0.661255D+01 -0.121823D+02  0.213563D+01
      2   0.538902D+01 -0.162881D+01  0.281102D+01 -0.968544D+01  0.730218D+01
      3   0.378237D+01  0.250801D+01  0.382895D+01 -0.493777D+01 -0.121919D+02
               191           192           193           194           195 
      1  -0.200282D+01  0.341384D+01 -0.212095D+01  0.171729D+01 -0.115702D+01
      2  -0.284391D+01  0.498595D+01 -0.311286D+01  0.109010D+01 -0.149083D+01
      3  -0.340320D-01  0.256297D+00  0.300858D+01  0.170723D+01  0.906594D+00
               196           197           198           199           200 
      1   0.225792D+01  0.250586D+00  0.499970D+00  0.131634D+01  0.685114D+00
      2   0.155918D+01 -0.589501D+00  0.124398D+01 -0.415090D+01 -0.401109D+01
      3  -0.698686D+00  0.501555D+00 -0.185369D+01  0.100148D+02  0.840237D+01
               201           202           203           204           205 
      1  -0.255296D+01  0.743853D+00  0.191581D+01 -0.233221D+01 -0.680514D+00
      2  -0.192405D+01 -0.384424D+01 -0.570044D+01 -0.237318D+01 -0.266576D+01
      3   0.345660D+01  0.974331D+01  0.135312D+02  0.522025D+01  0.198291D+01
               206           207 
      1   0.564880D+00 -0.213274D+01
      2  -0.260891D+01 -0.287804D+01
      3   0.436412D+01  0.372168D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.158473D+01 -0.177303D+02  0.282868D+01  0.268504D+02 -0.514819D+00
      2  -0.232619D+01  0.124296D+02  0.518224D+00 -0.260698D+02 -0.392257D+01
      3   0.391092D+01  0.530068D+01 -0.334691D+01 -0.780593D+00  0.443739D+01
      4  -0.195501D+02  0.145962D+02 -0.381382D+01 -0.211565D+01 -0.196800D+02
      5  -0.127045D+01 -0.217252D+01  0.102755D+02  0.664599D+01  0.604365D+01
      6  -0.228652D+01 -0.184550D+01  0.610316D+01  0.643578D+01  0.252696D+01
                 6             7             8             9            10 
      1   0.175147D+01 -0.827038D+01 -0.149063D+01  0.977391D+01 -0.787014D+01
      2  -0.246070D+01  0.952798D+01  0.342039D+01 -0.132965D+02  0.459907D+01
      3   0.709236D+00 -0.125760D+01 -0.192976D+01  0.352259D+01  0.327107D+01
      4   0.893214D+01  0.253465D+01  0.901625D+01  0.130579D+02  0.103623D+02
      5   0.979955D+01  0.273418D+02  0.152142D+02 -0.439189D+01 -0.613438D+01
      6   0.137175D+01  0.829124D+01  0.927513D+01  0.303615D+01 -0.732842D+00
                11            12            13            14            15 
      1   0.622013D+01 -0.570678D+01 -0.190957D+02 -0.197667D+02  0.568252D+01
      2  -0.309203D+01  0.242385D+01  0.176404D+02  0.184815D+02 -0.647072D+01
      3  -0.312810D+01  0.328294D+01  0.145526D+01  0.128518D+01  0.788199D+00
      4   0.218475D+02 -0.121147D+00 -0.182785D+02  0.168758D+02 -0.747262D+01
      5   0.901857D+00  0.136986D+02  0.957303D+01 -0.411318D+01 -0.501673D+01
      6   0.268032D-01 -0.306336D+01 -0.559914D+01 -0.207584D+01 -0.172983D+01
                16            17            18            19            20 
      1  -0.259404D+01  0.765104D+01  0.146991D+02  0.118807D+02 -0.878617D+00
      2  -0.223338D+01 -0.521637D+01 -0.185299D+02 -0.906194D+01 -0.265864D+01
      3   0.482742D+01 -0.243467D+01  0.383073D+01 -0.281881D+01  0.353725D+01
      4   0.116179D+02 -0.478149D+01 -0.467438D+01  0.906596D+01 -0.252653D+02
      5   0.338642D+02 -0.790988D+01  0.550397D+01  0.234206D+01  0.205011D+01
      6  -0.356495D+01  0.481684D+01  0.208123D+01  0.255439D+01 -0.613498D+00
                21            22            23            24            25 
      1   0.780938D+00  0.877630D+01  0.109277D+02 -0.493114D+01  0.184568D+01
      2  -0.978906D+00 -0.144450D+01 -0.171917D+02  0.691158D+01 -0.226970D+01
      3   0.197968D+00 -0.733180D+01  0.626407D+01 -0.198044D+01  0.424016D+00
      4   0.376226D+01  0.168442D+02  0.735021D+01  0.111185D+01 -0.149568D+01
      5  -0.384513D+01 -0.122884D+01  0.729212D+00  0.478016D+01  0.284480D+01
      6  -0.270718D+01 -0.152397D+01  0.103067D+02  0.496685D+01  0.103945D+01
                26            27            28            29            30 
      1  -0.432607D+01 -0.128160D+02 -0.330604D+02  0.125014D+02 -0.153091D+01
      2   0.992760D+01  0.253031D+00  0.193958D+02 -0.643692D+01 -0.463210D+00
      3  -0.560153D+01  0.125630D+02  0.136647D+02 -0.606445D+01  0.199412D+01
      4  -0.180349D+01  0.108198D+02 -0.105789D+02  0.914647D+01 -0.438336D+00
      5   0.981261D+01 -0.847763D+01 -0.298601D+01  0.113051D+01 -0.261619D+01
      6   0.141931D+02 -0.552741D+01  0.184401D+01 -0.240036D+00 -0.181585D+01
                31            32            33            34            35 
      1   0.110345D+02 -0.349726D+01  0.701637D+00 -0.661540D+01  0.225388D+01
      2  -0.282887D+01  0.640722D+01 -0.307106D+01 -0.715548D+00 -0.161393D+01
      3  -0.820559D+01 -0.290996D+01  0.236942D+01  0.733095D+01 -0.639947D+00
      4  -0.575238D+01  0.906012D+01 -0.177883D+01  0.395241D+01 -0.303258D+01
      5   0.180919D+01 -0.127443D+01 -0.760606D+00  0.107830D+01  0.409546D+00
      6  -0.645944D+01 -0.269089D+01  0.154548D+01 -0.939767D+00  0.669983D+01
                36            37            38            39            40 
      1  -0.121142D+02 -0.180220D+02 -0.269812D+02  0.254933D+01 -0.148699D+02
      2  -0.254561D+00  0.153281D+02  0.210894D+02  0.429966D+00  0.388995D+01
      3   0.123688D+02  0.269389D+01  0.589180D+01 -0.297930D+01  0.109800D+02
      4  -0.193558D+01 -0.549738D+01  0.256695D+01 -0.144621D+01  0.682280D+00
      5  -0.443726D+00  0.239637D+01  0.500392D+00 -0.152542D+01  0.556656D+00
      6   0.180184D+01 -0.286329D+01 -0.181624D+00  0.948123D+00  0.794965D+01
                41            42            43            44            45 
      1  -0.935481D+01 -0.452204D+00  0.216141D+01 -0.192391D+01 -0.140707D+02
      2   0.985440D+01 -0.946301D+00  0.218617D+01  0.168218D+01  0.290739D+01
      3  -0.499598D+00  0.139851D+01 -0.434758D+01  0.241724D+00  0.111633D+02
      4  -0.929388D+01  0.301792D+01  0.125037D+00  0.293184D+01 -0.207631D+01
      5   0.323052D+01  0.315682D-01  0.166436D+01 -0.277068D+01 -0.942033D+00
      6   0.433930D-01  0.166675D+01 -0.693445D+00  0.950526D+01  0.133127D+01
                46            47            48            49            50 
      1   0.132976D+02  0.187521D+02 -0.330946D+00 -0.190476D+02  0.139028D+02
      2  -0.137974D+02 -0.137803D+02  0.303288D+00  0.152169D+02 -0.206167D+02
      3   0.499819D+00 -0.497185D+01  0.276577D-01  0.383072D+01  0.671393D+01
      4   0.582217D+01 -0.203555D+02  0.527634D+01  0.109223D+02 -0.981148D+00
      5  -0.279170D+01  0.308746D+01 -0.238450D+01 -0.369410D+00 -0.427576D+01
      6   0.528497D+01 -0.144632D+01  0.497160D+00 -0.231006D+01  0.980752D+01
                51            52            53            54            55 
      1  -0.392950D+01  0.281900D+01 -0.222687D+01 -0.608437D+01  0.200661D+02
      2   0.606503D+01 -0.424278D+01  0.878602D+01 -0.341413D+01 -0.992180D+01
      3  -0.213553D+01  0.142378D+01 -0.655916D+01  0.949850D+01 -0.101443D+02
      4  -0.405872D+01  0.159143D+01 -0.820949D+01 -0.138799D+02 -0.392852D+01
      5  -0.830092D+01  0.784533D+01 -0.143079D+02  0.655201D+01  0.217859D+01
      6   0.441542D+01 -0.471197D+01  0.132038D+02 -0.226404D+01 -0.292010D+01
                56            57            58            59            60 
      1  -0.136310D+02 -0.368669D+01 -0.184356D+02  0.363468D+01 -0.901975D+01
      2   0.103130D+02  0.411098D+01  0.125397D+02  0.120784D+01  0.653192D+01
      3   0.331800D+01 -0.424291D+00  0.589586D+01 -0.484252D+01  0.248784D+01
      4  -0.672810D+01 -0.453056D+01 -0.131418D+02  0.695847D+01 -0.463504D+01
      5  -0.628761D+01 -0.619744D+01 -0.758835D+01 -0.636069D+01  0.131724D+02
      6   0.376712D+01  0.398382D+01  0.736806D+00  0.767359D+01 -0.160402D+02
                61            62            63            64            65 
      1  -0.905934D+00 -0.756088D+01  0.110518D+02 -0.471240D+02  0.136660D+02
      2   0.447758D+01  0.176564D+01 -0.100489D+02  0.244392D+02 -0.940077D+01
      3  -0.357165D+01  0.579523D+01 -0.100287D+01  0.226847D+02 -0.426521D+01
      4  -0.108195D+02  0.182697D+01  0.189274D+02  0.149843D+02  0.337348D+01
      5  -0.140765D+02  0.177775D+02 -0.230354D+01 -0.746620D+01  0.638006D+01
      6   0.146792D+02 -0.211568D+02  0.957730D+01  0.267509D+01  0.115588D+01
                66            67            68            69            70 
      1  -0.442765D+01  0.197909D+02  0.811529D+01  0.792107D+01  0.578020D+00
      2  -0.161966D+01 -0.121623D+02 -0.108317D+02 -0.206412D-01  0.121959D+01
      3   0.604731D+01 -0.762860D+01  0.271642D+01 -0.790043D+01 -0.179761D+01
      4   0.424086D+01 -0.694595D+00  0.112157D+01  0.540841D+01  0.536653D+01
      5   0.614962D+01  0.995724D+01  0.709686D+01 -0.455602D+01 -0.154409D+01
      6   0.713126D+00  0.189470D+01 -0.677026D+00 -0.414265D+01 -0.226514D+01
                71            72            73            74            75 
      1   0.332764D+01  0.142134D+02  0.310712D+02  0.802421D+01 -0.312152D+00
      2   0.863993D+01  0.131369D+02 -0.177176D+02 -0.556878D+01 -0.893205D+00
      3  -0.119676D+02 -0.273503D+02 -0.133535D+02 -0.245544D+01  0.120536D+01
      4   0.412240D+00 -0.128982D+02  0.128671D+02  0.113973D+02 -0.462996D+01
      5  -0.125498D+02 -0.242819D+02 -0.483495D+01 -0.300615D+01  0.951732D+01
      6  -0.207057D+01 -0.105555D+02 -0.114432D+01 -0.553264D+01 -0.364099D+01
                76            77            78            79            80 
      1  -0.772909D+01 -0.621018D+01  0.995622D+00 -0.603620D+01 -0.488700D+00
      2   0.881498D+01  0.149251D+02  0.104382D+01  0.471045D+01 -0.397851D+01
      3  -0.108590D+01 -0.871491D+01 -0.203944D+01  0.132575D+01  0.446721D+01
      4   0.124331D+02  0.106987D+02 -0.650824D+01 -0.577676D+01 -0.631617D+01
      5  -0.415457D+01 -0.624413D+01 -0.188709D+01  0.103748D+02  0.757040D+01
      6  -0.286189D+00 -0.218499D+01  0.104968D+02  0.384575D+01  0.967460D+01
                81            82            83            84            85 
      1  -0.607286D+01 -0.114986D+02 -0.405524D+01 -0.415201D+00  0.186207D+02
      2  -0.340364D+01  0.891747D+01  0.655142D+01  0.179100D+01 -0.164564D+02
      3   0.947650D+01  0.258114D+01 -0.249618D+01 -0.137580D+01 -0.216431D+01
      4   0.915776D+01  0.157800D+01 -0.196701D+01  0.147818D+01 -0.585434D+00
      5  -0.413003D+01 -0.148923D+01  0.724152D+00 -0.590584D+01 -0.186483D+01
      6  -0.262667D+01 -0.730689D+00  0.827118D+00  0.889591D+01 -0.319830D+01
                86            87            88            89            90 
      1   0.379446D+02  0.851935D+00  0.529597D+01  0.504329D+01  0.293767D+02
      2  -0.363188D+02 -0.199312D+01 -0.556410D+01 -0.773035D+01 -0.282334D+02
      3  -0.162581D+01  0.114118D+01  0.268128D+00  0.268706D+01 -0.114329D+01
      4  -0.610272D+01 -0.191256D+01 -0.237726D+01 -0.362050D+01 -0.758216D+01
      5  -0.266889D+01 -0.436285D+01 -0.270959D+01 -0.947729D+01 -0.123314D+01
      6  -0.343099D+01 -0.266894D+02 -0.713547D+01 -0.408780D+02 -0.350053D+01
                91            92            93            94            95 
      1   0.481300D+02  0.233848D+02 -0.231491D+01  0.201318D+02  0.143329D+02
      2  -0.191054D+02 -0.621087D+01  0.126346D+01 -0.145777D+01  0.368979D+01
      3  -0.290246D+02 -0.171739D+02  0.105145D+01 -0.186741D+02 -0.180227D+02
      4   0.446728D+02  0.314921D+02 -0.222163D+01  0.381660D+02  0.375177D+02
      5  -0.529833D+01 -0.264226D+01  0.792230D+01 -0.489214D+01 -0.410193D+01
      6  -0.871097D+00 -0.667174D+00  0.336439D+01 -0.202516D+01 -0.180372D+01
                96            97            98            99           100 
      1  -0.168520D+01 -0.112990D+01 -0.776976D+00  0.131400D+01  0.931550D+02
      2   0.835763D+00 -0.251791D+00 -0.529989D+00  0.165260D+00 -0.513887D+02
      3   0.849439D+00  0.138169D+01  0.130696D+01 -0.147926D+01 -0.417664D+02
      4  -0.328261D+01 -0.399064D+01 -0.360604D+01  0.374862D+01 -0.313483D+02
      5   0.574401D+01  0.327017D+01  0.240703D+01 -0.926526D+00  0.115293D+02
      6   0.431806D+01  0.182400D+01  0.238560D+01 -0.998560D+00 -0.338532D+00
               101           102           103           104           105 
      1  -0.207948D+02  0.802286D+01 -0.191650D+02  0.137803D+02 -0.290091D+01
      2   0.102253D+02 -0.542076D+01  0.810417D+01 -0.542959D+01  0.193962D+01
      3   0.105695D+02 -0.260211D+01  0.110608D+02 -0.835073D+01  0.961293D+00
      4   0.157556D+02 -0.271916D+01  0.228865D+02 -0.127797D+02  0.263237D+01
      5  -0.251456D+01  0.112857D+02 -0.499901D+01  0.271808D+01 -0.355349D+01
      6   0.584677D+00 -0.187401D+01  0.147238D+01 -0.726286D+00  0.212503D+01
               106           107           108           109           110 
      1   0.955891D+01 -0.305129D+01  0.417507D+01 -0.418645D+01  0.643662D+01
      2  -0.540826D+01  0.150204D+01 -0.242019D+01  0.561545D+01 -0.568665D+01
      3  -0.415066D+01  0.154926D+01 -0.175488D+01 -0.142901D+01 -0.749975D+00
      4  -0.577474D+01  0.290098D+01 -0.284688D+01  0.112748D+01  0.670051D+01
      5   0.497956D+01 -0.169598D+01  0.251674D+01 -0.419475D+00 -0.627954D+00
      6  -0.111917D+01  0.126862D+01 -0.864695D+00 -0.161524D+01  0.200051D+01
               111           112           113           114           115 
      1  -0.177987D+01  0.371445D+01 -0.369481D+02  0.703131D+01 -0.120487D+01
      2   0.114568D+01 -0.314615D+01  0.513380D+02 -0.699522D+01  0.130580D+01
      3   0.634191D+00 -0.568300D+00 -0.143899D+02 -0.360916D-01 -0.100930D+00
      4  -0.772285D+00  0.558405D+01  0.191206D+02 -0.386541D+01 -0.858158D+00
      5   0.990917D+00 -0.894149D+00 -0.458090D+01  0.267259D+01  0.722846D+00
      6  -0.112000D+01  0.202472D+00 -0.132685D+02  0.920508D+01 -0.241642D+00
               116           117           118           119           120 
      1   0.743356D+01 -0.354081D+01  0.147561D+01 -0.330035D+01  0.578368D+00
      2  -0.877571D+01  0.388745D+01  0.338795D+01 -0.250835D+01  0.128384D+00
      3   0.134215D+01 -0.346630D+00 -0.486356D+01  0.580870D+01 -0.706752D+00
      4  -0.301552D+01 -0.149257D-01 -0.110905D+02  0.155270D+02 -0.302036D+01
      5   0.630290D+00 -0.383031D+00  0.203682D+01 -0.275431D+01  0.276698D+01
      6   0.550185D+01 -0.342590D+01 -0.186509D+01  0.208113D+01 -0.177284D+01
               121           122           123           124           125 
      1   0.115083D+01 -0.244668D+02  0.417460D+01  0.156667D+00  0.404244D+01
      2  -0.789223D+01  0.442430D+02 -0.501762D+01  0.911689D+00 -0.653315D+01
      3   0.674140D+01 -0.197762D+02  0.843022D+00 -0.106836D+01  0.249071D+01
      4   0.171057D+02 -0.429800D+02  0.714823D+01 -0.369249D+01  0.847595D+01
      5  -0.268952D+01  0.645909D+01 -0.532189D+01  0.150520D+01 -0.226380D+01
      6   0.271772D+01 -0.106926D+02  0.880690D+01 -0.156773D+01  0.562846D+01
               126           127           128           129           130 
      1  -0.300688D+01 -0.163057D+00 -0.109325D+01  0.282383D+01  0.381925D+01
      2   0.371149D+01 -0.164693D-01  0.101427D+00 -0.192377D+01 -0.393602D+01
      3  -0.704604D+00  0.179526D+00  0.991823D+00 -0.900062D+00  0.116770D+00
      4  -0.268013D+01 -0.394396D+01  0.671294D+01 -0.365488D+01  0.979034D+01
      5   0.176606D+01  0.477459D+01 -0.265158D+01  0.680773D+01 -0.317951D+01
      6  -0.329512D+01 -0.577184D+01  0.996217D+00 -0.184633D+01  0.394400D+01
               131           132           133           134           135 
      1  -0.138988D+02  0.968909D+01 -0.585158D+00  0.104695D+02 -0.154205D+02
      2   0.140240D+02 -0.735615D+01 -0.887723D+00 -0.485416D+01  0.653997D+00
      3  -0.125185D+00 -0.233295D+01  0.147288D+01 -0.561531D+01  0.147665D+02
      4  -0.142338D+02  0.728526D+01 -0.515621D+01  0.829706D+01 -0.983317D+01
      5   0.767598D+01 -0.910382D+01  0.938631D+01 -0.101432D+02  0.154275D+02
      6  -0.164677D+02  0.171950D+02 -0.709691D+01  0.178238D+02 -0.229681D+02
               136           137           138           139           140 
      1  -0.201226D+02  0.294956D+02  0.693568D+01  0.279469D+02  0.731753D+01
      2  -0.730618D+01 -0.175193D+02 -0.872235D+01 -0.144566D+02 -0.945711D+01
      3   0.274288D+02 -0.119763D+02  0.178667D+01 -0.134903D+02  0.213958D+01
      4   0.371592D+02 -0.155687D+02  0.503505D+01 -0.899502D+01 -0.233853D+01
      5   0.409172D+01 -0.467372D-01  0.429571D+01  0.272644D+01  0.712054D+00
      6  -0.330834D+01 -0.104422D+02 -0.621476D+01 -0.959282D+01 -0.632673D+01
               141           142           143           144           145 
      1   0.350775D+01  0.535385D+01  0.386183D+01 -0.250462D+01  0.278292D+01
      2  -0.173504D+02 -0.892299D+01 -0.125046D+02  0.138023D+02 -0.433661D+01
      3   0.138427D+02  0.356914D+01  0.864274D+01 -0.112977D+02  0.155370D+01
      4  -0.420440D+00  0.163962D+02 -0.732466D+01 -0.181693D+02  0.473637D+00
      5  -0.153828D+02  0.973562D+01 -0.181077D+02  0.154516D+01  0.444837D+01
      6   0.610173D+01 -0.131103D+02  0.105897D+02  0.516463D+01  0.146825D+01
               146           147           148           149           150 
      1   0.112689D+01  0.790438D+01  0.345925D+00 -0.639504D+01 -0.571264D+01
      2   0.698804D-01 -0.529542D+00 -0.104376D+01  0.125290D+01 -0.186479D+01
      3  -0.119677D+01 -0.737484D+01  0.697839D+00  0.514214D+01  0.757743D+01
      4  -0.872322D+00  0.624946D+00  0.307694D+01  0.629812D+01  0.716725D+01
      5   0.255638D+00  0.133705D+01  0.298166D+01  0.626736D+01  0.870481D+01
      6  -0.835363D+00 -0.122850D+01  0.130710D+01  0.646243D+01  0.106778D+02
               151           152           153           154           155 
      1   0.407328D+01 -0.431252D+01 -0.176242D+02  0.771020D+02 -0.859115D+01
      2  -0.671840D+01 -0.296628D+01 -0.215037D+02 -0.432270D+02  0.482119D+01
      3   0.264512D+01  0.727880D+01  0.391279D+02 -0.338749D+02  0.376996D+01
      4   0.263805D+01  0.751061D+01  0.873015D+01 -0.837641D+01  0.999466D+01
      5   0.120672D+02  0.807549D+01  0.348128D+02  0.170205D+02 -0.231357D+01
      6   0.213403D+01  0.740324D+01  0.125074D+02 -0.147438D+01  0.128218D+01
               156           157           158           159           160 
      1   0.554546D+01 -0.137679D+02  0.822398D+01 -0.211121D+01 -0.131828D+01
      2  -0.512795D+01  0.774559D+01 -0.320230D+01  0.926232D+00 -0.124427D+01
      3  -0.417509D+00  0.602235D+01 -0.502167D+01  0.118498D+01  0.256255D+01
      4  -0.760329D+00  0.128297D+02 -0.598657D+01  0.467036D+00 -0.569372D+00
      5   0.102480D+02 -0.451227D+01  0.140148D+01 -0.174029D+01  0.116019D+02
      6  -0.491245D+00  0.225087D+01 -0.131306D+01  0.216874D+01 -0.760532D+00
               161           162           163           164           165 
      1  -0.324267D+00  0.642199D+01 -0.102167D+01  0.308301D+01  0.144084D+01
      2  -0.635013D+00 -0.600492D+01  0.225636D+01 -0.274827D+01 -0.145898D+01
      3   0.959280D+00 -0.417068D+00 -0.123469D+01 -0.334736D+00  0.181387D-01
      4  -0.888986D+00 -0.491765D+00  0.282748D+01  0.759827D+01  0.483731D+01
      5  -0.866305D+00  0.361276D+01  0.195806D+01  0.291260D+01  0.464526D+01
      6   0.129969D+01  0.318586D+00  0.695959D+01  0.338507D+00  0.475415D+00
               166           167           168           169           170 
      1  -0.413910D+01 -0.306557D+02 -0.114897D+02 -0.242742D+01 -0.232077D+02
      2   0.593041D+01  0.389868D+02  0.139331D+02  0.296556D+01  0.246490D+02
      3  -0.179130D+01 -0.833109D+01 -0.244342D+01 -0.538144D+00 -0.144127D+01
      4   0.652332D+01  0.102382D+02  0.399318D+01  0.796152D+01  0.756129D+01
      5   0.236567D+01  0.408897D+01  0.323807D+01  0.508134D+01  0.688263D+01
      6   0.351860D+01  0.213972D+02  0.172749D+02  0.633324D+01  0.303644D+02
               171           172           173           174           175 
      1  -0.207745D+02 -0.412858D+00  0.358462D+01 -0.297239D+01 -0.382002D+01
      2   0.159135D+02  0.793023D+00 -0.369500D+01  0.185040D+01  0.464209D+01
      3   0.486102D+01 -0.380165D+00  0.110378D+00  0.112198D+01 -0.822073D+00
      4   0.575379D+01  0.970999D+00  0.644846D+01 -0.458103D+01  0.528722D+01
      5   0.589051D+01 -0.126629D+01 -0.254204D+01  0.343875D+01 -0.168413D+01
      6   0.253543D+02 -0.577664D+01  0.179563D+01 -0.163619D+01 -0.220132D+01
               176           177           178           179           180 
      1  -0.269081D+02  0.124770D+02  0.900927D+00  0.191284D+02 -0.206392D+02
      2   0.327323D+02 -0.137050D+02 -0.110304D+01 -0.183361D+02  0.137311D+02
      3  -0.582424D+01  0.122799D+01  0.202112D+00 -0.792257D+00  0.690801D+01
      4   0.742843D+01 -0.311195D+01 -0.592090D+01 -0.504454D+01  0.452719D+01
      5  -0.389926D+01  0.347713D+01  0.382102D+01  0.607894D+01 -0.528881D+01
      6  -0.198125D+02  0.177395D+02  0.457649D+01  0.263616D+02 -0.237566D+02
               181           182           183           184           185 
      1   0.369015D+01 -0.149574D+01 -0.455534D+01  0.975085D+00 -0.650023D+00
      2  -0.408000D+01  0.641770D+00  0.407179D+01 -0.220605D+01 -0.599873D+01
      3   0.389851D+00  0.853965D+00  0.483552D+00  0.123096D+01  0.664875D+01
      4  -0.225294D+01  0.185131D+01  0.626126D+00 -0.107987D+00  0.851594D+01
      5  -0.513845D+01 -0.161755D+01  0.525033D+01 -0.560367D+01 -0.371984D+01
      6   0.956457D+00  0.116044D+01  0.509314D+00  0.156426D+01 -0.292182D+01
               186           187           188           189           190 
      1   0.173732D+01 -0.381999D+01 -0.477312D+00 -0.794612D+01  0.448953D+02
      2   0.115868D+02  0.634264D+01  0.907130D+01 -0.199446D+02 -0.101846D+02
      3  -0.133242D+02 -0.252265D+01 -0.859398D+01  0.278907D+02 -0.347106D+02
      4  -0.373040D+01  0.409170D+00 -0.451016D+01  0.582252D+01 -0.507367D+02
      5   0.116571D+02  0.840051D+01  0.535156D+01 -0.204617D+02 -0.138692D+02
      6  -0.157281D+01 -0.119256D+01  0.251302D+01  0.740351D+01  0.519489D+01
               191           192           193           194           195 
      1  -0.141813D+02 -0.372158D-01 -0.992538D+01  0.342572D+01 -0.924400D+00
      2  -0.320755D+01  0.189433D+01 -0.522207D+01  0.955167D+01  0.139199D+01
      3   0.173888D+02 -0.185711D+01  0.151475D+02 -0.129774D+02 -0.467590D+00
      4   0.304551D+02  0.276959D+01  0.264247D+02 -0.225536D+02 -0.131945D+01
      5   0.634507D+01  0.949836D+01  0.420863D+01 -0.359414D+01 -0.231758D+01
      6  -0.380106D+01 -0.622179D+01 -0.235818D+01  0.405432D+01  0.349096D+01
               196           197           198           199           200 
      1   0.402657D+01 -0.114799D+01  0.443646D+01 -0.771698D+01 -0.166444D+02
      2   0.163237D+01 -0.106064D+01 -0.257980D+01  0.103561D+02  0.178214D+02
      3  -0.565894D+01  0.220863D+01 -0.185666D+01 -0.263911D+01 -0.117696D+01
      4  -0.599494D+01  0.390912D+01 -0.476545D+01  0.306568D+01  0.335970D+01
      5   0.780251D+01 -0.227750D+01 -0.109048D+00  0.289904D+01  0.981848D+00
      6  -0.502384D+01  0.302134D+01 -0.111448D+01  0.476127D+01  0.958919D+01
               201           202           203           204           205 
      1  -0.772606D+01 -0.116108D+02 -0.277169D+02 -0.107599D+02 -0.366985D+01
      2   0.539984D+01  0.106964D+02  0.370303D+02  0.108762D+02  0.247501D+01
      3   0.232622D+01  0.914402D+00 -0.931344D+01 -0.116376D+00  0.119484D+01
      4   0.151900D+00  0.718702D+01 -0.658050D+01 -0.235669D+01 -0.166199D+00
      5  -0.764930D+00  0.283589D+01 -0.159009D+01 -0.973285D+00  0.101454D+01
      6   0.814263D+01  0.427094D+01  0.182135D+02  0.114968D+02  0.437350D+01
               206           207 
      1  -0.929165D+01 -0.943978D+01
      2   0.789547D+01  0.487929D+01
      3   0.139618D+01  0.456049D+01
      4  -0.688673D+00  0.130304D+01
      5  -0.166597D+00 -0.154390D+01
      6   0.106424D+02  0.841423D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 15:51:39 2021, MaxMem= 10737418240 cpu:           23196.0 elap:            1451.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.46576 -10.48990 -10.48410 -10.45067 -10.45007
 Alpha  occ. eigenvalues --  -10.44742 -10.44479 -10.44391 -10.44349 -10.44292
 Alpha  occ. eigenvalues --  -10.42698  -1.16877  -1.00288  -0.94044  -0.90297
 Alpha  occ. eigenvalues --   -0.86959  -0.82794  -0.77772  -0.74986  -0.72590
 Alpha  occ. eigenvalues --   -0.66784  -0.64169  -0.61307  -0.60445  -0.58195
 Alpha  occ. eigenvalues --   -0.56992  -0.55178  -0.53788  -0.52895  -0.51108
 Alpha  occ. eigenvalues --   -0.49488  -0.49199  -0.47501  -0.46277  -0.45721
 Alpha  occ. eigenvalues --   -0.43031  -0.41856  -0.36917  -0.34650  -0.33906
 Alpha virt. eigenvalues --    0.04702   0.05617   0.05939   0.06212   0.06603
 Alpha virt. eigenvalues --    0.08019   0.08669   0.08917   0.10870   0.11273
 Alpha virt. eigenvalues --    0.12034   0.12295   0.14897   0.16281   0.16408
 Alpha virt. eigenvalues --    0.16751   0.17879   0.18273   0.19149   0.20170
 Alpha virt. eigenvalues --    0.21370   0.21543   0.22398   0.22922   0.23565
 Alpha virt. eigenvalues --    0.24134   0.25020   0.25725   0.25845   0.27175
 Alpha virt. eigenvalues --    0.27470   0.28370   0.28671   0.29631   0.29991
 Alpha virt. eigenvalues --    0.30912   0.31288   0.31812   0.32465   0.32874
 Alpha virt. eigenvalues --    0.33107   0.34003   0.34477   0.35159   0.35780
 Alpha virt. eigenvalues --    0.36226   0.36558   0.36772   0.37682   0.38021
 Alpha virt. eigenvalues --    0.38439   0.38794   0.39141   0.40016   0.40335
 Alpha virt. eigenvalues --    0.40523   0.41324   0.41491   0.41606   0.42258
 Alpha virt. eigenvalues --    0.42696   0.42777   0.43239   0.44310   0.44564
 Alpha virt. eigenvalues --    0.45099   0.45387   0.45918   0.46117   0.46761
 Alpha virt. eigenvalues --    0.47159   0.47862   0.48108   0.48708   0.48836
 Alpha virt. eigenvalues --    0.49176   0.49798   0.50846   0.51388   0.51995
 Alpha virt. eigenvalues --    0.52238   0.52994   0.53684   0.54445   0.55069
 Alpha virt. eigenvalues --    0.55682   0.56082   0.56220   0.57218   0.57909
 Alpha virt. eigenvalues --    0.58175   0.59399   0.59608   0.60265   0.60835
 Alpha virt. eigenvalues --    0.61120   0.62143   0.62234   0.63834   0.64205
 Alpha virt. eigenvalues --    0.64728   0.65994   0.66222   0.67187   0.67518
 Alpha virt. eigenvalues --    0.68181   0.68781   0.70226   0.71124   0.71913
 Alpha virt. eigenvalues --    0.72925   0.73394   0.74347   0.75079   0.76330
 Alpha virt. eigenvalues --    0.78428   0.79050   0.79430   0.80213   0.80963
 Alpha virt. eigenvalues --    0.82198   0.83276   0.84905   0.86052   0.86640
 Alpha virt. eigenvalues --    0.87664   0.88558   0.90249   0.90443   0.92474
 Alpha virt. eigenvalues --    0.94323   0.96689   0.98095   1.00455   1.01425
 Alpha virt. eigenvalues --    1.02815   1.03536   1.04115   1.04734   1.05428
 Alpha virt. eigenvalues --    1.05807   1.06929   1.07836   1.08787   1.09784
 Alpha virt. eigenvalues --    1.10175   1.11226   1.12275   1.13066   1.14604
 Alpha virt. eigenvalues --    1.16774   1.17300   1.18125   1.19108   1.19582
 Alpha virt. eigenvalues --    1.21119   1.22010   1.23141   1.24431   1.25322
 Alpha virt. eigenvalues --    1.26348   1.28992   1.30019   1.30342   1.31698
 Alpha virt. eigenvalues --    1.33753   1.34002   1.37273   1.37689   1.39507
 Alpha virt. eigenvalues --    1.42040   1.43481   1.43711   1.45864   1.46861
 Alpha virt. eigenvalues --    1.48978   1.50678   1.52721   1.54767   1.58697
 Alpha virt. eigenvalues --    1.59544   1.62744   1.63818   1.65778   1.69057
 Alpha virt. eigenvalues --    1.72413   1.72868   1.73473   1.75592   1.77217
 Alpha virt. eigenvalues --    1.78825   1.80125   1.82545   1.84158   1.85882
 Alpha virt. eigenvalues --    1.87031   1.90120   1.91338   1.93248   1.94086
 Alpha virt. eigenvalues --    1.94487   1.94612   1.96431   1.97988   1.98806
 Alpha virt. eigenvalues --    2.01678   2.02898   2.04012   2.05869   2.06239
 Alpha virt. eigenvalues --    2.09002   2.10042   2.10594   2.11805   2.12606
 Alpha virt. eigenvalues --    2.14160   2.15091   2.17248   2.18425   2.19030
 Alpha virt. eigenvalues --    2.20135   2.21075   2.22509   2.25398   2.26078
 Alpha virt. eigenvalues --    2.27279   2.27766   2.30295   2.31290   2.34481
 Alpha virt. eigenvalues --    2.36322   2.37471   2.39365   2.42784   2.45474
 Alpha virt. eigenvalues --    2.46096   2.47378   2.48325   2.49426   2.52399
 Alpha virt. eigenvalues --    2.53998   2.56424   2.57179   2.58504   2.60214
 Alpha virt. eigenvalues --    2.61649   2.62298   2.63640   2.68065   2.71561
 Alpha virt. eigenvalues --    2.74882   2.76709   2.77337   2.77769   2.80548
 Alpha virt. eigenvalues --    2.88906   2.94992   2.95447   2.96770   2.98137
 Alpha virt. eigenvalues --    3.01960   3.05246   3.09011   3.12311   3.14088
 Alpha virt. eigenvalues --    3.16314   3.17922   3.19847   3.21869   3.23500
 Alpha virt. eigenvalues --    3.25917   3.27444   3.29573   3.32110   3.32594
 Alpha virt. eigenvalues --    3.43312   3.58172   3.74718   3.78663
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.395010  -0.313423  -1.140600   0.594177  -0.194282   0.600234
     2  C   -0.313423   6.988838   0.582530  -0.247669   0.552278  -0.667107
     3  C   -1.140600   0.582530   9.252074  -0.804540  -0.032350  -0.396099
     4  C    0.594177  -0.247669  -0.804540  10.245459  -1.547361   0.280737
     5  C   -0.194282   0.552278  -0.032350  -1.547361  10.935380  -1.364284
     6  C    0.600234  -0.667107  -0.396099   0.280737  -1.364284   9.210724
     7  C    0.083062   0.045316  -0.631873  -0.195212  -0.705128   0.029733
     8  C    0.005542  -0.003863   0.115164  -0.031020  -0.170097   0.017191
     9  O   -0.000932  -0.007911  -0.038271  -0.063154  -0.126645   0.096410
    10  C    0.051609   0.054230   0.016798  -0.804964  -0.184131  -0.695305
    11  H    0.029993  -0.337961  -0.351540   0.012951   0.146681  -0.045525
    12  H   -0.381685  -0.052410   0.010362   0.142418   0.021251  -0.341790
    13  H   -0.478311  -0.045703  -0.019877  -0.830798   0.111598   0.151104
    14  H   -0.052410  -0.376295   0.143846   0.109596  -0.551638  -0.158467
    15  H    0.025007   0.000655  -0.237197  -0.154664   0.015637  -0.000977
    16  C    0.001320   0.001601  -0.007973   0.111004   0.041003   0.003964
    17  H    0.001298   0.000502  -0.013306   0.027205  -0.113762   0.008054
    18  H   -0.000404   0.000209   0.001238   0.012003   0.036830  -0.000833
    19  H   -0.003875   0.001181  -0.000459   0.054548   0.124740  -0.042174
    20  H   -0.005397  -0.001884   0.004224   0.110370   0.015114  -0.009122
    21  H   -0.000465   0.000515   0.000719  -0.049128   0.043423  -0.003522
    22  H    0.000028  -0.000060   0.003641   0.002576  -0.003365  -0.000421
    23  H    0.004426   0.001051  -0.005297  -0.129916  -0.019391  -0.003055
               7          8          9         10         11         12
     1  C    0.083062   0.005542  -0.000932   0.051609   0.029993  -0.381685
     2  C    0.045316  -0.003863  -0.007911   0.054230  -0.337961  -0.052410
     3  C   -0.631873   0.115164  -0.038271   0.016798  -0.351540   0.010362
     4  C   -0.195212  -0.031020  -0.063154  -0.804964   0.012951   0.142418
     5  C   -0.705128  -0.170097  -0.126645  -0.184131   0.146681   0.021251
     6  C    0.029733   0.017191   0.096410  -0.695305  -0.045525  -0.341790
     7  C    7.386388  -0.127503   0.118849  -0.267176   0.012263  -0.003404
     8  C   -0.127503   4.734357   0.057967   0.144228  -0.000460   0.000037
     9  O    0.118849   0.057967   8.866392   0.083368   0.001230  -0.001509
    10  C   -0.267176   0.144228   0.083368   6.289493  -0.005378   0.017816
    11  H    0.012263  -0.000460   0.001230  -0.005378   2.189429  -0.500164
    12  H   -0.003404   0.000037  -0.001509   0.017816  -0.500164   2.209827
    13  H   -0.241707   0.020671  -0.013872   0.008228  -0.515631   0.058975
    14  H   -0.005830  -0.003046   0.017138  -0.194123   0.053949  -0.480347
    15  H    0.207042  -0.126989  -0.002712  -0.026015  -0.000190  -0.000183
    16  C    0.096076  -0.012377  -0.042230  -0.003485   0.000047  -0.000395
    17  H    0.086137   0.265346   0.044624  -0.028046   0.000106  -0.000088
    18  H    0.094383   0.174039  -0.054277   0.004066  -0.000002  -0.000001
    19  H    0.043761  -0.016845  -0.075148   0.095456   0.000151  -0.000742
    20  H   -0.014055   0.003730  -0.102071  -0.022850   0.000136  -0.001248
    21  H    0.137243  -0.037385   0.004131   0.015455   0.000192   0.000019
    22  H    0.033834  -0.007214  -0.018346  -0.002136   0.000001   0.000001
    23  H    0.128271   0.035455   0.003316  -0.006915  -0.000061  -0.000116
              13         14         15         16         17         18
     1  C   -0.478311  -0.052410   0.025007   0.001320   0.001298  -0.000404
     2  C   -0.045703  -0.376295   0.000655   0.001601   0.000502   0.000209
     3  C   -0.019877   0.143846  -0.237197  -0.007973  -0.013306   0.001238
     4  C   -0.830798   0.109596  -0.154664   0.111004   0.027205   0.012003
     5  C    0.111598  -0.551638   0.015637   0.041003  -0.113762   0.036830
     6  C    0.151104  -0.158467  -0.000977   0.003964   0.008054  -0.000833
     7  C   -0.241707  -0.005830   0.207042   0.096076   0.086137   0.094383
     8  C    0.020671  -0.003046  -0.126989  -0.012377   0.265346   0.174039
     9  O   -0.013872   0.017138  -0.002712  -0.042230   0.044624  -0.054277
    10  C    0.008228  -0.194123  -0.026015  -0.003485  -0.028046   0.004066
    11  H   -0.515631   0.053949  -0.000190   0.000047   0.000106  -0.000002
    12  H    0.058975  -0.480347  -0.000183  -0.000395  -0.000088  -0.000001
    13  H    2.515896  -0.019277  -0.045270   0.010355  -0.000944  -0.000903
    14  H   -0.019277   2.227713   0.001109   0.001432   0.001527   0.000154
    15  H   -0.045270   0.001109   1.399372  -0.048279  -0.128164   0.123001
    16  C    0.010355   0.001432  -0.048279   4.341416   0.043356  -0.109159
    17  H   -0.000944   0.001527  -0.128164   0.043356   1.115224  -0.382663
    18  H   -0.000903   0.000154   0.123001  -0.109159  -0.382663   1.433204
    19  H   -0.000244   0.011507   0.000270   0.001230  -0.005985  -0.001988
    20  H   -0.000196   0.021152   0.001620   0.002193  -0.001646   0.007354
    21  H    0.001310  -0.000493  -0.018088   0.275468   0.002218  -0.038404
    22  H    0.004717   0.000003  -0.037518   0.293525   0.014102  -0.018433
    23  H   -0.004999   0.000368   0.054825   0.188474  -0.006794   0.017592
              19         20         21         22         23
     1  C   -0.003875  -0.005397  -0.000465   0.000028   0.004426
     2  C    0.001181  -0.001884   0.000515  -0.000060   0.001051
     3  C   -0.000459   0.004224   0.000719   0.003641  -0.005297
     4  C    0.054548   0.110370  -0.049128   0.002576  -0.129916
     5  C    0.124740   0.015114   0.043423  -0.003365  -0.019391
     6  C   -0.042174  -0.009122  -0.003522  -0.000421  -0.003055
     7  C    0.043761  -0.014055   0.137243   0.033834   0.128271
     8  C   -0.016845   0.003730  -0.037385  -0.007214   0.035455
     9  O   -0.075148  -0.102071   0.004131  -0.018346   0.003316
    10  C    0.095456  -0.022850   0.015455  -0.002136  -0.006915
    11  H    0.000151   0.000136   0.000192   0.000001  -0.000061
    12  H   -0.000742  -0.001248   0.000019   0.000001  -0.000116
    13  H   -0.000244  -0.000196   0.001310   0.004717  -0.004999
    14  H    0.011507   0.021152  -0.000493   0.000003   0.000368
    15  H    0.000270   0.001620  -0.018088  -0.037518   0.054825
    16  C    0.001230   0.002193   0.275468   0.293525   0.188474
    17  H   -0.005985  -0.001646   0.002218   0.014102  -0.006794
    18  H   -0.001988   0.007354  -0.038404  -0.018433   0.017592
    19  H    0.789362  -0.050788   0.000561  -0.000211  -0.000192
    20  H   -0.050788   0.964506  -0.003008   0.000200   0.000383
    21  H    0.000561  -0.003008   0.774893  -0.040895  -0.088860
    22  H   -0.000211   0.000200  -0.040895   0.710411  -0.095145
    23  H   -0.000192   0.000383  -0.088860  -0.095145   1.027522
 Mulliken charges:
               1
     1  C   -0.219920
     2  C   -0.174618
     3  C   -0.451216
     4  C   -0.844616
     5  C   -1.031502
     6  C   -0.669472
     7  C   -0.310472
     8  C    0.963072
     9  O   -0.746350
    10  C    1.459776
    11  H    0.309783
    12  H    0.303376
    13  H    0.334876
    14  H    0.252430
    15  H   -0.002292
    16  C    0.811430
    17  H    0.071698
    18  H   -0.297008
    19  H    0.075880
    20  H    0.081284
    21  H    0.024099
    22  H    0.160705
    23  H   -0.100944
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.089863
     2  C    0.128758
     3  C   -0.116340
     4  C   -0.844616
     5  C   -1.031502
     6  C   -0.417041
     7  C   -0.312764
     8  C    0.737762
     9  O   -0.746350
    10  C    1.616939
    16  C    0.895292
 Electronic spatial extent (au):  <R**2>=           1638.7519
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.7105    Y=              0.5474    Z=             -0.8797  Tot=              1.2563
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.6768   YY=            -61.4789   ZZ=            -68.3725
   XY=             -3.4322   XZ=              3.0322   YZ=             -0.9030
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.1659   YY=              3.3638   ZZ=             -3.5298
   XY=             -3.4322   XZ=              3.0322   YZ=             -0.9030
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              9.2532  YYY=             -7.0452  ZZZ=              0.4214  XYY=              6.1045
  XXY=              9.4011  XXZ=             -4.0058  XZZ=            -10.4267  YZZ=             -3.4138
  YYZ=             -0.1504  XYZ=             -3.6440
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1269.5552 YYYY=           -677.3885 ZZZZ=           -180.5847 XXXY=            -16.9121
 XXXZ=             19.8019 YYYX=              7.2334 YYYZ=            -12.5311 ZZZX=              1.2838
 ZZZY=             -2.0878 XXYY=           -342.0699 XXZZ=           -271.8981 YYZZ=           -147.5754
 XXYZ=             -2.7895 YYXZ=              3.1255 ZZXY=              3.3677
 N-N= 6.087582623565D+02 E-N=-2.290427738651D+03  KE= 4.573564479502D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 15:51:39 2021, MaxMem= 10737418240 cpu:               5.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.26347213D-01 1.89666481D-01-3.08094183D-01
 Polarizability= 1.39945018D+02-2.82458637D+00 1.23418169D+02
                 2.87767968D+00-3.88014091D+00 8.04670895D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.3538   -1.3553       -1.1661   -1.1632
 2      1.3538    1.3553        1.9504    1.9536       -9.0150   -9.0027
 3      1.1661    1.1632       30.6017   30.5918       -1.9470   -1.9536
 4     -1.9504   -1.9536       -0.0000    0.0000        1.1625    1.1632
 5    -21.5867  -21.5891       -1.1625   -1.1632       -1.3584   -1.3553
 6      1.9470    1.9536        1.3584    1.3553        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        4.0660    4.0660       -3.4897   -3.4897
 2     -5.8607   -5.8607       -0.0000    0.0000       -3.4897   -3.4897
 3     -5.8607   -5.8607        4.0660    4.0660       -0.0000    0.0000
 4      4.0660    4.0660        5.8607    5.8607      -27.0081  -27.0081
 5      3.4897    3.4897       91.7755   91.7755       -5.8607   -5.8607
 6    -64.7674  -64.7674       -3.4897   -3.4897       -4.0660   -4.0660
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0706    0.0000        5.3344    5.4214        4.9920    4.6530
 2     -4.8023   -5.4214       -7.7537   -7.8143       36.8385   36.0108
 3     -4.7782   -4.6530     -122.1556 -122.3673        7.9227    7.8143
 4      7.9599    7.8143       -0.1099    0.0000       -4.3421   -4.6530
 5     86.0556   86.3565        4.5180    4.6530        5.2337    5.4214
 6     -7.8691   -7.8143       -5.6694   -5.4214        0.0184    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1371    0.0000       -5.3114   -5.2348       -1.9749   -2.0693
 2      5.4125    5.2348      -53.6776  -53.7669       29.2317   29.2918
 3      1.5152    2.0693       15.3484   14.1359       52.7978   53.7669
 4     53.9168   53.7669        0.1275    0.0000        1.9145    2.0693
 5    -44.3295  -43.4277       -2.3243   -2.0693       -5.8007   -5.2348
 6    -53.9223  -53.7669        5.1695    5.2348        0.2090    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.2288   -1.7651      -36.4716  -36.1197       -5.3726   -5.5842
 2     85.8774   85.2235      -34.8039  -34.7446       -5.8736   -5.5842
 3     85.8696   85.2235      -36.1836  -36.1197       -6.8276   -6.4405
 4     -0.8950   -1.3751      -87.0850  -86.9886       28.0467   27.6730
 5     -1.6834   -0.8563       36.1026   34.1634       85.9577   86.9886
 6    -62.8321  -61.8363        0.1269    0.8563        0.9058    1.3751
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5276   -2.6609   -0.0007   -0.0004    0.0002    5.4422
 Low frequencies ---   92.0069  119.2389  201.5494
 Diagonal vibrational polarizability:
        4.1634484       3.8790134       8.3476660
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     92.0053               119.2385               201.5491
 Red. masses --      3.0238                 3.0444                 2.8692
 Frc consts  --      0.0151                 0.0255                 0.0687
 IR Inten    --      0.5753                 0.2323                 1.2462
 RamAct Fr= 1--      2.8670                 3.0135                 1.9624
  Dep-P Fr= 1--      0.7498                 0.7431                 0.6711
  Dep-U Fr= 1--      0.8570                 0.8526                 0.8031
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0027
 Beta2  Fr= 1--      0.4095                 0.4282                 0.2627
 AlphaG Fr= 1--      0.0000                -0.0004                 0.0059
 Gamma2 Fr= 1--      0.4347                 0.9374                 0.4152
 Delta2 Fr= 1--      0.5346                 0.4645                -0.0082
 Raman1 Fr= 1--      11.468                 12.054                  7.850
 ROA1   Fr= 1--      58.834                104.858                 39.602
 CID1   Fr= 1--       5.130                  8.699                  5.045
 Raman2 Fr= 1--       4.914                  5.139                  3.152
 ROA2   Fr= 1--       6.156                 18.782                 10.031
 CID2   Fr= 1--       1.253                  3.655                  3.182
 Raman3 Fr= 1--       9.828                 10.277                  6.304
 ROA3   Fr= 1--      58.834                104.858                 39.602
 CID3   Fr= 1--       5.986                 10.203                  6.282
 RC180  Fr= 1--       0.714                  0.705                  0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.13    -0.02   0.02  -0.02    -0.02   0.04   0.16
     2   6    -0.00   0.01   0.03    -0.03   0.05   0.18    -0.02   0.02   0.03
     3   6    -0.03   0.00   0.10    -0.01  -0.02  -0.17    -0.01   0.02   0.01
     4   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.13     0.00  -0.01  -0.14
     5   6     0.01  -0.04  -0.10    -0.01   0.00  -0.03    -0.01  -0.01  -0.13
     6   6     0.02  -0.02  -0.09    -0.02   0.04   0.15    -0.01  -0.01  -0.14
     7   6    -0.01  -0.03  -0.04    -0.01  -0.01  -0.01     0.00  -0.02  -0.09
     8   6    -0.08  -0.04   0.14    -0.08   0.03   0.06     0.01  -0.02  -0.05
     9   8     0.06  -0.03   0.12    -0.00  -0.02  -0.01    -0.02   0.09   0.08
    10   6     0.02  -0.05  -0.13    -0.01  -0.01  -0.14    -0.04   0.03   0.14
    11   1    -0.04   0.05   0.24    -0.02   0.02  -0.04    -0.03   0.07   0.35
    12   1     0.00   0.02   0.04    -0.04   0.09   0.35    -0.03   0.03   0.10
    13   1    -0.04   0.01   0.18    -0.01  -0.04  -0.27    -0.01   0.03   0.08
    14   1     0.03  -0.03  -0.15    -0.02   0.07   0.28    -0.01  -0.02  -0.19
    15   1    -0.02  -0.15  -0.14    -0.10   0.03   0.03    -0.06   0.03  -0.05
    16   6     0.05   0.18  -0.14     0.17  -0.06   0.10     0.11  -0.13   0.02
    17   1    -0.24  -0.06   0.11    -0.21   0.06   0.02     0.05  -0.12  -0.00
    18   1    -0.06  -0.02   0.29    -0.06   0.05   0.19     0.01  -0.01  -0.12
    19   1    -0.11   0.10  -0.24    -0.03   0.13  -0.24    -0.11  -0.21   0.31
    20   1     0.11  -0.19  -0.25     0.02  -0.14  -0.24     0.00   0.26   0.31
    21   1     0.04   0.31  -0.04     0.31  -0.10   0.07     0.37  -0.17  -0.01
    22   1     0.06   0.20  -0.18     0.15  -0.06   0.28     0.02  -0.27   0.22
    23   1     0.09   0.19  -0.28     0.21  -0.07   0.03     0.04  -0.04  -0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    232.2499               253.9007               322.9162
 Red. masses --      1.1063                 2.8506                 3.1614
 Frc consts  --      0.0352                 0.1083                 0.1942
 IR Inten    --      0.4417                 2.7111                 5.0029
 RamAct Fr= 1--      0.1478                 0.4343                 0.8399
  Dep-P Fr= 1--      0.7374                 0.7261                 0.1510
  Dep-U Fr= 1--      0.8489                 0.8413                 0.2623
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0130
 Beta2  Fr= 1--      0.0209                 0.0609                 0.0367
 AlphaG Fr= 1--     -0.0006                -0.0004                -0.0033
 Gamma2 Fr= 1--     -0.1574                 0.3854                -0.3054
 Delta2 Fr= 1--      0.0265                 0.1317                -0.1213
 Raman1 Fr= 1--       0.591                  1.737                  3.360
 ROA1   Fr= 1--     -14.258                 41.215                -33.202
 CID1   Fr= 1--     -24.112                 23.727                 -9.883
 Raman2 Fr= 1--       0.251                  0.731                  0.441
 ROA2   Fr= 1--      -3.988                  8.197                 -6.360
 CID2   Fr= 1--     -15.892                 11.218                -14.434
 Raman3 Fr= 1--       0.502                  1.461                  0.881
 ROA3   Fr= 1--     -14.258                 41.215                -33.202
 CID3   Fr= 1--     -28.406                 28.203                -37.672
 RC180  Fr= 1--       0.698                  0.683                 -0.475
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.01    -0.06   0.06   0.01    -0.06   0.06  -0.06
     2   6    -0.00  -0.01  -0.02    -0.02   0.06  -0.04    -0.01   0.05  -0.13
     3   6     0.00   0.00   0.02    -0.07   0.00   0.04    -0.09   0.01   0.15
     4   6    -0.00   0.01   0.03    -0.02  -0.05   0.03    -0.01  -0.07   0.07
     5   6    -0.01   0.01   0.03    -0.01  -0.04   0.05    -0.00  -0.06   0.12
     6   6    -0.01   0.00   0.01     0.02   0.01  -0.01     0.03   0.01   0.11
     7   6    -0.01   0.00   0.02     0.01  -0.02   0.03     0.05  -0.05  -0.09
     8   6     0.01  -0.00  -0.01    -0.02   0.01  -0.03     0.03  -0.00  -0.08
     9   8    -0.01  -0.03  -0.04    -0.07  -0.12  -0.17    -0.01   0.14   0.08
    10   6     0.00  -0.01  -0.00    -0.00  -0.06   0.10    -0.08  -0.00  -0.07
    11   1     0.01  -0.02  -0.03    -0.08   0.09   0.01    -0.09   0.08  -0.16
    12   1    -0.00  -0.02  -0.04    -0.00   0.08  -0.10     0.02   0.08  -0.30
    13   1     0.01   0.01   0.02    -0.14  -0.01   0.06    -0.18   0.01   0.22
    14   1    -0.02  -0.00   0.01     0.08   0.02  -0.04     0.11   0.04   0.15
    15   1    -0.02  -0.01   0.01     0.05  -0.05   0.00     0.14  -0.03  -0.07
    16   6     0.02   0.04   0.00     0.21   0.13   0.01     0.13  -0.10  -0.05
    17   1     0.04   0.03  -0.01    -0.03   0.14  -0.08     0.10  -0.15  -0.01
    18   1     0.01  -0.01  -0.03    -0.01   0.01   0.01     0.03   0.03  -0.20
    19   1     0.04  -0.00  -0.01     0.15  -0.25   0.25    -0.19   0.25  -0.25
    20   1    -0.01  -0.01  -0.00    -0.08   0.13   0.26    -0.14  -0.25  -0.25
    21   1     0.55   0.21   0.16     0.05   0.17   0.04     0.23  -0.15  -0.08
    22   1    -0.21  -0.42   0.19     0.32   0.41   0.04     0.11  -0.10   0.08
    23   1    -0.27   0.39  -0.36     0.45  -0.06  -0.04     0.16  -0.12  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    357.2463               385.6409               440.8882
 Red. masses --      3.5440                 2.3758                 3.3059
 Frc consts  --      0.2665                 0.2082                 0.3786
 IR Inten    --      0.2966                 0.4124                 3.9621
 RamAct Fr= 1--      0.2886                 2.4404                 1.3044
  Dep-P Fr= 1--      0.7314                 0.3393                 0.6206
  Dep-U Fr= 1--      0.8449                 0.5067                 0.7659
 Alpha2 Fr= 1--      0.0001                 0.0222                 0.0031
 Beta2  Fr= 1--      0.0406                 0.2061                 0.1665
 AlphaG Fr= 1--     -0.0002                -0.0089                 0.0037
 Gamma2 Fr= 1--     -0.7117                 0.0527                 0.3871
 Delta2 Fr= 1--     -0.2144                 0.1314                 0.1317
 Raman1 Fr= 1--       1.155                  9.762                  5.217
 ROA1   Fr= 1--     -75.189                  9.266                 41.380
 CID1   Fr= 1--     -65.126                  0.949                  7.931
 Raman2 Fr= 1--       0.488                  2.473                  1.998
 ROA2   Fr= 1--     -15.366                  0.214                  8.238
 CID2   Fr= 1--     -31.507                  0.086                  4.123
 Raman3 Fr= 1--       0.975                  4.947                  3.996
 ROA3   Fr= 1--     -75.189                  9.266                 41.380
 CID3   Fr= 1--     -77.085                  1.873                 10.355
 RC180  Fr= 1--       0.690                  0.013                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05   0.02    -0.04  -0.04  -0.02    -0.08  -0.08  -0.09
     2   6     0.00  -0.09  -0.11    -0.10  -0.04   0.01    -0.01  -0.05  -0.02
     3   6     0.10   0.10   0.13    -0.02   0.04  -0.00    -0.09  -0.02   0.15
     4   6     0.03   0.14  -0.06    -0.04   0.07  -0.01    -0.07  -0.04  -0.09
     5   6    -0.03   0.16   0.05    -0.07   0.06  -0.04     0.03  -0.04  -0.17
     6   6    -0.09   0.06   0.09    -0.12   0.00   0.00    -0.01  -0.02   0.15
     7   6    -0.04  -0.03  -0.11    -0.04   0.03   0.03    -0.06   0.07  -0.03
     8   6    -0.11  -0.08   0.05     0.17  -0.12  -0.05    -0.02   0.07  -0.01
     9   8    -0.05  -0.12  -0.02     0.07  -0.03   0.07     0.18   0.08  -0.05
    10   6     0.04   0.09   0.01     0.04  -0.02  -0.04     0.12  -0.03   0.03
    11   1     0.15  -0.12   0.02    -0.00  -0.09  -0.02    -0.09  -0.07  -0.15
    12   1    -0.02  -0.20  -0.26    -0.11  -0.07   0.04     0.00   0.00   0.01
    13   1     0.22   0.15   0.26     0.03   0.06   0.01    -0.08   0.03   0.41
    14   1    -0.21   0.05   0.15    -0.19  -0.00   0.02    -0.06   0.03   0.43
    15   1    -0.18  -0.08  -0.14    -0.11   0.01   0.02    -0.04   0.11   0.00
    16   6     0.07  -0.09  -0.06     0.06   0.07   0.05    -0.03   0.02   0.02
    17   1    -0.33  -0.08   0.01     0.56  -0.18   0.05    -0.16   0.14  -0.06
    18   1    -0.08  -0.01   0.24     0.11  -0.27  -0.43    -0.04  -0.03   0.19
    19   1     0.16   0.11  -0.00     0.00   0.06  -0.09     0.08  -0.32   0.23
    20   1     0.12   0.08  -0.01     0.15  -0.08  -0.10     0.12   0.24   0.23
    21   1     0.06  -0.19  -0.13     0.01   0.09   0.06     0.02  -0.02  -0.01
    22   1     0.09   0.01   0.05     0.12   0.23   0.11    -0.05  -0.00   0.07
    23   1     0.16  -0.19   0.01     0.21  -0.03   0.01    -0.05   0.03   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    471.3334               524.9805               554.0479
 Red. masses --      4.0221                 3.5738                 3.5664
 Frc consts  --      0.5265                 0.5803                 0.6450
 IR Inten    --      3.1414                 0.2801                 3.3016
 RamAct Fr= 1--      2.2900                 8.4353                 0.3456
  Dep-P Fr= 1--      0.3359                 0.2125                 0.3188
  Dep-U Fr= 1--      0.5028                 0.3505                 0.4835
 Alpha2 Fr= 1--      0.0210                 0.1108                 0.0033
 Beta2  Fr= 1--      0.1919                 0.4927                 0.0278
 AlphaG Fr= 1--      0.0181                 0.0276                -0.0069
 Gamma2 Fr= 1--     -0.0761                -0.2926                 0.1860
 Delta2 Fr= 1--      0.1005                -0.0305                -0.0492
 Raman1 Fr= 1--       9.160                 33.741                  1.382
 ROA1   Fr= 1--      -4.089                -29.063                 16.282
 CID1   Fr= 1--      -0.446                 -0.861                 11.777
 Raman2 Fr= 1--       2.303                  5.913                  0.334
 ROA2   Fr= 1--      -2.630                 -6.777                  4.857
 CID2   Fr= 1--      -1.142                 -1.146                 14.535
 Raman3 Fr= 1--       4.606                 11.826                  0.668
 ROA3   Fr= 1--      -4.089                -29.063                 16.282
 CID3   Fr= 1--      -0.888                 -2.458                 24.360
 RC180  Fr= 1--       0.006                 -0.299                 -0.033
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.07   0.14    -0.07   0.04  -0.04     0.01  -0.06  -0.19
     2   6    -0.02  -0.08  -0.03    -0.22   0.03   0.02     0.01   0.01   0.23
     3   6    -0.09  -0.06  -0.12    -0.02   0.10  -0.02    -0.01   0.02   0.10
     4   6    -0.09   0.01   0.05     0.07   0.02   0.07    -0.03   0.06   0.24
     5   6     0.03   0.07   0.25    -0.08  -0.01   0.00     0.03   0.04  -0.06
     6   6    -0.00  -0.08  -0.07    -0.14  -0.04  -0.03     0.02  -0.02  -0.14
     7   6    -0.07   0.04  -0.08     0.22   0.02  -0.02    -0.05  -0.06  -0.03
     8   6    -0.05   0.03  -0.03     0.12   0.09   0.12    -0.09  -0.05  -0.05
     9   8     0.19   0.07  -0.05     0.07  -0.05  -0.01     0.00   0.04   0.00
    10   6     0.15   0.07   0.02     0.02  -0.07   0.01     0.02   0.08  -0.01
    11   1    -0.14  -0.04   0.21     0.02  -0.07  -0.09     0.02  -0.12  -0.52
    12   1     0.01  -0.05  -0.20    -0.22   0.02   0.04     0.00   0.05   0.39
    13   1    -0.02  -0.09  -0.37    -0.10   0.07  -0.09     0.04   0.00  -0.07
    14   1    -0.06  -0.14  -0.37    -0.11  -0.04  -0.10    -0.01  -0.06  -0.32
    15   1    -0.00   0.07  -0.06     0.25  -0.03  -0.07     0.07  -0.08  -0.05
    16   6     0.03  -0.02  -0.01     0.03  -0.09  -0.10     0.06  -0.05  -0.05
    17   1    -0.20   0.07  -0.08    -0.18   0.14   0.05    -0.16  -0.09  -0.05
    18   1    -0.07  -0.07   0.17     0.19   0.26   0.40    -0.08  -0.03   0.00
    19   1     0.30   0.21  -0.08     0.07  -0.14   0.06     0.00  -0.03   0.07
    20   1     0.02  -0.07  -0.07     0.05  -0.01   0.06     0.05   0.18   0.06
    21   1     0.12  -0.10  -0.06    -0.01  -0.20  -0.18     0.15  -0.05  -0.04
    22   1     0.02   0.02   0.16    -0.02  -0.28  -0.24     0.07   0.05   0.12
    23   1     0.09  -0.07  -0.01    -0.17   0.00   0.11     0.18  -0.12  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    621.8870               706.4100               735.3029
 Red. masses --      4.5836                 3.5550                 4.2478
 Frc consts  --      1.0444                 1.0452                 1.3531
 IR Inten    --      4.3133                 9.6296                 2.2974
 RamAct Fr= 1--      2.6222                 0.8806                23.0589
  Dep-P Fr= 1--      0.3051                 0.6856                 0.0427
  Dep-U Fr= 1--      0.4676                 0.8135                 0.0819
 Alpha2 Fr= 1--      0.0265                 0.0010                 0.4635
 Beta2  Fr= 1--      0.2044                 0.1194                 0.3148
 AlphaG Fr= 1--      0.0290                -0.0020                -0.0234
 Gamma2 Fr= 1--      0.1617                -0.3991                -1.6977
 Delta2 Fr= 1--      0.1479                -0.2385                -0.7284
 Raman1 Fr= 1--      10.489                  3.523                 92.236
 ROA1   Fr= 1--      20.258                -45.943               -186.290
 CID1   Fr= 1--       1.931                -13.042                 -2.020
 Raman2 Fr= 1--       2.452                  1.433                  3.778
 ROA2   Fr= 1--       2.698                 -7.669                -34.917
 CID2   Fr= 1--       1.100                 -5.353                 -9.243
 Raman3 Fr= 1--       4.905                  2.866                  7.555
 ROA3   Fr= 1--      20.258                -45.943               -186.290
 CID3   Fr= 1--       4.130                -16.033                -24.658
 RC180  Fr= 1--      -0.065                  0.627                 -0.836
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.18  -0.04   0.00    -0.12  -0.10  -0.08     0.03   0.05  -0.05
     2   6    -0.08  -0.07  -0.03     0.12  -0.02   0.08    -0.10   0.02   0.05
     3   6    -0.08   0.17  -0.05    -0.10  -0.04   0.06     0.07   0.26   0.01
     4   6     0.10   0.00  -0.06    -0.06   0.02  -0.10     0.11   0.05  -0.08
     5   6     0.17   0.04  -0.06     0.05   0.05   0.05     0.07  -0.11   0.11
     6   6     0.08  -0.22   0.06     0.11  -0.03  -0.07     0.08  -0.24   0.01
     7   6     0.06  -0.19   0.14     0.03   0.18  -0.09    -0.09   0.12  -0.11
     8   6    -0.01  -0.03  -0.00     0.10   0.07   0.11    -0.08  -0.03  -0.06
     9   8    -0.08   0.01  -0.02    -0.14  -0.13   0.03     0.02  -0.00   0.01
    10   6     0.05   0.25  -0.01     0.02   0.03   0.03    -0.05  -0.17   0.03
    11   1    -0.10  -0.12   0.15    -0.22   0.02   0.00     0.22  -0.17  -0.09
    12   1    -0.01   0.18   0.04     0.17   0.15   0.19    -0.04   0.14  -0.08
    13   1    -0.08   0.19   0.10    -0.04   0.01   0.26     0.07   0.26   0.03
    14   1     0.02  -0.19   0.22     0.03  -0.04  -0.03     0.25  -0.24  -0.15
    15   1     0.04  -0.15   0.17    -0.04   0.05  -0.20    -0.14   0.12  -0.11
    16   6     0.00  -0.01   0.01     0.01   0.01  -0.04    -0.05   0.08   0.07
    17   1     0.05  -0.02   0.00     0.30   0.05   0.16    -0.10  -0.07  -0.04
    18   1     0.01   0.09  -0.11     0.10   0.07  -0.11    -0.11  -0.16  -0.01
    19   1     0.06   0.28  -0.03     0.05   0.22  -0.09    -0.07  -0.12  -0.01
    20   1     0.10   0.23  -0.05     0.06  -0.12  -0.10    -0.19  -0.23   0.00
    21   1    -0.15   0.25   0.21     0.08  -0.30  -0.29     0.07  -0.09  -0.06
    22   1     0.05  -0.00  -0.27    -0.06  -0.13   0.08    -0.08   0.12   0.32
    23   1    -0.02   0.06  -0.16    -0.12   0.02   0.29    -0.00   0.01   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    744.1165               771.3808               843.9545
 Red. masses --      2.0765                 1.6692                 3.2553
 Frc consts  --      0.6774                 0.5852                 1.3661
 IR Inten    --     26.6792                28.0750                 1.6239
 RamAct Fr= 1--      1.1008                 1.4799                 2.7397
  Dep-P Fr= 1--      0.2233                 0.2845                 0.4274
  Dep-U Fr= 1--      0.3650                 0.4430                 0.5989
 Alpha2 Fr= 1--      0.0140                 0.0159                 0.0183
 Beta2  Fr= 1--      0.0670                 0.1093                 0.2735
 AlphaG Fr= 1--     -0.0116                 0.0119                -0.0324
 Gamma2 Fr= 1--      0.3226                -0.3009                 0.8256
 Delta2 Fr= 1--     -0.0081                 0.2048                 0.3669
 Raman1 Fr= 1--       4.403                  5.920                 10.959
 ROA1   Fr= 1--      30.710                -22.333                 90.996
 CID1   Fr= 1--       6.974                 -3.773                  8.303
 Raman2 Fr= 1--       0.804                  1.311                  3.281
 ROA2   Fr= 1--       7.807                 -8.860                 16.879
 CID2   Fr= 1--       9.714                 -6.758                  5.144
 Raman3 Fr= 1--       1.607                  2.622                  6.563
 ROA3   Fr= 1--      30.710                -22.333                 90.996
 CID3   Fr= 1--      19.106                 -8.517                 13.865
 RC180  Fr= 1--      -0.270                 -0.114                  0.198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.13    -0.00   0.00  -0.01     0.08   0.11   0.02
     2   6    -0.05   0.03   0.03     0.01  -0.02  -0.11    -0.16   0.06  -0.02
     3   6     0.02  -0.04   0.04     0.01   0.02  -0.09     0.03  -0.15   0.05
     4   6     0.02  -0.06  -0.12    -0.01   0.04   0.17     0.05  -0.13   0.02
     5   6    -0.04   0.01   0.14     0.01  -0.01  -0.04     0.02  -0.05  -0.04
     6   6    -0.04   0.02  -0.12     0.02  -0.03  -0.00    -0.04  -0.06  -0.01
     7   6     0.00  -0.05   0.03    -0.02   0.04  -0.03     0.05   0.09  -0.08
     8   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.01    -0.08  -0.05  -0.05
     9   8     0.05   0.03  -0.02    -0.01  -0.01   0.01    -0.04  -0.07   0.03
    10   6     0.01   0.02   0.04    -0.01  -0.02  -0.01     0.11   0.19   0.01
    11   1     0.03   0.10   0.39    -0.02   0.08   0.54     0.10   0.06  -0.18
    12   1    -0.11   0.02   0.49    -0.03   0.12   0.54    -0.20  -0.04  -0.04
    13   1    -0.06   0.05   0.56     0.01   0.05   0.10    -0.19  -0.23  -0.12
    14   1    -0.03   0.06   0.09    -0.01   0.06   0.49     0.08  -0.01   0.14
    15   1    -0.04   0.00   0.08     0.09  -0.01  -0.07     0.26   0.03  -0.13
    16   6    -0.01  -0.00   0.02     0.00   0.00  -0.02    -0.02   0.10   0.07
    17   1    -0.06   0.02  -0.04    -0.03  -0.03  -0.00    -0.00  -0.16   0.01
    18   1    -0.01  -0.01   0.05    -0.02  -0.02  -0.00    -0.10  -0.12  -0.12
    19   1     0.12   0.19  -0.08    -0.03  -0.05   0.01     0.15   0.25  -0.03
    20   1    -0.09  -0.15  -0.07     0.01  -0.00   0.01     0.25   0.13  -0.06
    21   1    -0.07   0.12   0.11     0.10  -0.12  -0.11     0.05  -0.17  -0.14
    22   1     0.02   0.02  -0.10    -0.02   0.02   0.15    -0.10  -0.03   0.21
    23   1    -0.01   0.03  -0.07     0.04  -0.05   0.04    -0.13   0.10   0.36
                     19                     20                     21
                      A                      A                      A
 Frequencies --    877.7424               889.5115               935.5473
 Red. masses --      1.3484                 2.7790                 2.7401
 Frc consts  --      0.6121                 1.2955                 1.4130
 IR Inten    --      0.0483                 3.4335                14.7731
 RamAct Fr= 1--      0.5129                 3.8414                 3.7785
  Dep-P Fr= 1--      0.3981                 0.1789                 0.7440
  Dep-U Fr= 1--      0.5695                 0.3035                 0.8532
 Alpha2 Fr= 1--      0.0038                 0.0551                 0.0004
 Beta2  Fr= 1--      0.0487                 0.1943                 0.5373
 AlphaG Fr= 1--     -0.0158                 0.0332                 0.0028
 Gamma2 Fr= 1--      0.4092                 1.5422                -1.3093
 Delta2 Fr= 1--      0.0846                 1.4173                -0.5685
 Raman1 Fr= 1--       2.052                 15.366                 15.114
 ROA1   Fr= 1--      41.990                193.401               -143.886
 CID1   Fr= 1--      20.465                 12.586                 -9.520
 Raman2 Fr= 1--       0.584                  2.332                  6.448
 ROA2   Fr= 1--       9.143                 25.673                -26.875
 CID2   Fr= 1--      15.651                 11.010                 -4.168
 Raman3 Fr= 1--       1.168                  4.664                 12.896
 ROA3   Fr= 1--      41.990                193.401               -143.886
 CID3   Fr= 1--      35.937                 41.470                -11.158
 RC180  Fr= 1--       0.139                 -0.393                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.06     0.10   0.08   0.00     0.02   0.01   0.02
     2   6     0.01  -0.01  -0.04    -0.07   0.03  -0.01    -0.05   0.00   0.02
     3   6    -0.01   0.03   0.09     0.04  -0.04   0.00     0.02   0.01  -0.03
     4   6    -0.00   0.00  -0.05    -0.02  -0.03   0.01    -0.02   0.00   0.01
     5   6    -0.01   0.00   0.03     0.01  -0.05   0.00     0.02   0.00  -0.00
     6   6     0.01  -0.01  -0.10     0.01  -0.09   0.02    -0.01  -0.01  -0.03
     7   6    -0.01  -0.01   0.00    -0.18  -0.00   0.06    -0.04   0.06   0.08
     8   6     0.02   0.01   0.00     0.07   0.08   0.19    -0.13   0.17  -0.11
     9   8     0.01   0.00  -0.01     0.02   0.03  -0.08    -0.06  -0.06   0.11
    10   6    -0.01  -0.01   0.03    -0.01   0.08  -0.01     0.15  -0.10   0.03
    11   1     0.03  -0.08  -0.41     0.15   0.02  -0.04     0.08  -0.06  -0.09
    12   1    -0.01   0.05   0.29    -0.09  -0.02  -0.03    -0.05  -0.06  -0.16
    13   1     0.05  -0.08  -0.53    -0.04  -0.05   0.02     0.01   0.05   0.18
    14   1    -0.05   0.11   0.60     0.12  -0.07   0.04    -0.01   0.03   0.16
    15   1    -0.07   0.03   0.03    -0.38  -0.21  -0.11     0.10   0.32   0.28
    16   6    -0.00  -0.01   0.01    -0.00  -0.08  -0.13     0.05  -0.09  -0.09
    17   1    -0.02   0.02  -0.01     0.47   0.28   0.19     0.19   0.17  -0.03
    18   1     0.02   0.02   0.04    -0.01  -0.13  -0.14    -0.18   0.02  -0.35
    19   1     0.02   0.08  -0.04     0.02   0.04   0.01     0.15   0.00  -0.04
    20   1    -0.06  -0.11  -0.04    -0.09   0.11   0.02     0.28  -0.18  -0.05
    21   1    -0.03   0.05   0.05     0.13  -0.12  -0.16    -0.05   0.09   0.05
    22   1     0.01   0.01  -0.05     0.01   0.04   0.11     0.10  -0.06  -0.30
    23   1     0.01  -0.00  -0.05     0.17  -0.19  -0.21     0.04  -0.03  -0.26
                     22                     23                     24
                      A                      A                      A
 Frequencies --    941.7504               964.2064               977.4966
 Red. masses --      1.3896                 1.2465                 1.6451
 Frc consts  --      0.7261                 0.6828                 0.9261
 IR Inten    --      2.5474                 0.0874                11.6532
 RamAct Fr= 1--      0.3661                 0.0421                 1.6586
  Dep-P Fr= 1--      0.7024                 0.4463                 0.7164
  Dep-U Fr= 1--      0.8252                 0.6172                 0.8348
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0010
 Beta2  Fr= 1--      0.0504                 0.0043                 0.2308
 AlphaG Fr= 1--      0.0004                -0.0007                 0.0079
 Gamma2 Fr= 1--      0.7414                -0.1592                 0.5555
 Delta2 Fr= 1--     -0.1401                 0.1557                 0.1119
 Raman1 Fr= 1--       1.464                  0.169                  6.635
 ROA1   Fr= 1--      66.690                -10.303                 56.909
 CID1   Fr= 1--      45.539                -61.141                  8.578
 Raman2 Fr= 1--       0.604                  0.052                  2.769
 ROA2   Fr= 1--      18.914                 -5.066                 12.437
 CID2   Fr= 1--      31.301                -97.424                  4.491
 Raman3 Fr= 1--       1.208                  0.104                  5.538
 ROA3   Fr= 1--      66.690                -10.303                 56.909
 CID3   Fr= 1--      55.185                -99.064                 10.276
 RC180  Fr= 1--       0.650                  0.234                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05     0.01  -0.02  -0.09     0.01   0.01  -0.00
     2   6     0.01   0.01   0.08    -0.01   0.02   0.08    -0.03   0.01  -0.01
     3   6     0.00  -0.01  -0.10    -0.00   0.01   0.06     0.00  -0.03   0.00
     4   6     0.00   0.01   0.04    -0.00   0.00   0.01    -0.01   0.01   0.01
     5   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.02  -0.01  -0.04
     6   6     0.01  -0.01  -0.09     0.00  -0.01  -0.04     0.00  -0.02   0.03
     7   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03  -0.03  -0.06
     8   6     0.02  -0.03   0.00     0.01   0.01   0.00     0.13   0.07  -0.05
     9   8     0.01   0.01  -0.02    -0.00  -0.00   0.00    -0.05  -0.03   0.04
    10   6    -0.03   0.01   0.02     0.00   0.00  -0.01     0.04   0.00   0.05
    11   1     0.01  -0.05  -0.27    -0.04   0.11   0.61     0.01   0.01  -0.00
    12   1     0.05  -0.09  -0.48     0.04  -0.10  -0.53    -0.03   0.02   0.02
    13   1    -0.03   0.11   0.54     0.03  -0.08  -0.43    -0.01  -0.03   0.02
    14   1    -0.04   0.10   0.53    -0.02   0.05   0.31     0.03  -0.03  -0.10
    15   1     0.04  -0.06  -0.05    -0.00   0.00   0.00    -0.07   0.03  -0.01
    16   6    -0.01   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.02   0.03
    17   1    -0.07  -0.03  -0.02    -0.00   0.00   0.00    -0.27  -0.02  -0.10
    18   1     0.03   0.00   0.09     0.01   0.02   0.00     0.23   0.39   0.25
    19   1    -0.02   0.07  -0.03    -0.01  -0.01   0.01     0.03   0.16  -0.06
    20   1    -0.07  -0.06  -0.03     0.02   0.01   0.00     0.12  -0.15  -0.08
    21   1     0.04  -0.03  -0.03     0.00   0.01   0.01     0.11   0.14   0.17
    22   1    -0.02   0.03   0.10    -0.00   0.01   0.02    -0.01   0.31   0.33
    23   1     0.02  -0.02   0.03     0.02  -0.01  -0.02     0.25  -0.19  -0.36
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.0376              1037.8521              1063.5107
 Red. masses --      2.0015                 1.8237                 2.4345
 Frc consts  --      1.2366                 1.1574                 1.6224
 IR Inten    --     15.0341                 2.5286                 8.1768
 RamAct Fr= 1--      2.8466                 1.2708                36.4907
  Dep-P Fr= 1--      0.5433                 0.2570                 0.0456
  Dep-U Fr= 1--      0.7041                 0.4089                 0.0873
 Alpha2 Fr= 1--      0.0113                 0.0148                 0.7283
 Beta2  Fr= 1--      0.3340                 0.0866                 0.5307
 AlphaG Fr= 1--      0.0359                -0.0041                -0.0591
 Gamma2 Fr= 1--      1.2516                -0.1843                 1.1541
 Delta2 Fr= 1--      0.5834                -0.0743                 0.7338
 Raman1 Fr= 1--      11.387                  5.083                145.963
 ROA1   Fr= 1--     138.820                -20.076                134.273
 CID1   Fr= 1--      12.192                 -3.949                  0.920
 Raman2 Fr= 1--       4.009                  1.039                  6.369
 ROA2   Fr= 1--      25.371                 -3.830                 21.828
 CID2   Fr= 1--       6.329                 -3.685                  3.427
 Raman3 Fr= 1--       8.017                  2.079                 12.738
 ROA3   Fr= 1--     138.820                -20.076                134.273
 CID3   Fr= 1--      17.315                 -9.659                 10.541
 RC180  Fr= 1--       0.408                 -0.182                 -0.825
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.01  -0.04  -0.00     0.11   0.17  -0.02
     2   6     0.00   0.02  -0.00     0.01  -0.02   0.00     0.17  -0.12   0.03
     3   6     0.00  -0.03   0.00    -0.01   0.07   0.00    -0.10   0.09  -0.02
     4   6    -0.03   0.04   0.03     0.02  -0.03   0.00    -0.03  -0.03  -0.00
     5   6    -0.01  -0.03  -0.09     0.02  -0.04  -0.10    -0.05   0.01  -0.00
     6   6     0.01  -0.05   0.04    -0.02   0.09   0.02    -0.06  -0.11   0.02
     7   6    -0.00   0.14   0.02    -0.01  -0.07   0.05     0.00  -0.01   0.00
     8   6     0.02  -0.09  -0.01    -0.04   0.03  -0.01     0.01   0.03  -0.03
     9   8     0.05  -0.04  -0.04     0.02   0.02  -0.04     0.03  -0.03   0.02
    10   6    -0.09   0.07   0.12     0.03  -0.02   0.16    -0.02   0.02   0.00
    11   1    -0.03   0.08   0.04     0.05  -0.10   0.07    -0.03   0.35  -0.07
    12   1     0.04   0.08  -0.05    -0.03  -0.13   0.00     0.10  -0.34   0.07
    13   1     0.03  -0.03  -0.02     0.01   0.05  -0.11    -0.54   0.02  -0.04
    14   1     0.06  -0.07  -0.08    -0.03   0.06  -0.15    -0.50  -0.21  -0.00
    15   1    -0.07   0.42   0.25     0.14  -0.27  -0.13     0.11  -0.01  -0.00
    16   6     0.06  -0.07  -0.03    -0.00   0.05  -0.03     0.00   0.01  -0.00
    17   1    -0.16  -0.07  -0.06     0.09   0.17  -0.04    -0.01   0.03  -0.03
    18   1    -0.01  -0.24   0.26    -0.07  -0.07  -0.07     0.01   0.01   0.02
    19   1    -0.08   0.36  -0.10     0.05   0.44  -0.17     0.02   0.02   0.00
    20   1    -0.15  -0.26  -0.13    -0.12  -0.49  -0.18     0.08   0.02  -0.01
    21   1    -0.11   0.15   0.14     0.10  -0.19  -0.21     0.01  -0.02  -0.02
    22   1     0.11  -0.06  -0.35    -0.08  -0.05   0.19    -0.01  -0.01   0.02
    23   1    -0.03   0.05  -0.17    -0.02  -0.01   0.20    -0.01   0.00   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1088.8058              1131.5103              1144.2251
 Red. masses --      2.1825                 2.1641                 3.4227
 Frc consts  --      1.5244                 1.6325                 2.6402
 IR Inten    --     10.3766                 6.5338                61.9838
 RamAct Fr= 1--      7.8762                 2.9640                 1.9273
  Dep-P Fr= 1--      0.1412                 0.6060                 0.2925
  Dep-U Fr= 1--      0.2475                 0.7547                 0.4526
 Alpha2 Fr= 1--      0.1245                 0.0079                 0.0202
 Beta2  Fr= 1--      0.3249                 0.3728                 0.1454
 AlphaG Fr= 1--      0.0268                 0.0236                -0.0439
 Gamma2 Fr= 1--     -1.3325                 0.7938                -0.3413
 Delta2 Fr= 1--      0.1683                -0.1961                 0.5614
 Raman1 Fr= 1--      31.505                 11.856                  7.709
 ROA1   Fr= 1--    -122.535                 69.929                -14.797
 CID1   Fr= 1--      -3.889                  5.898                 -1.919
 Raman2 Fr= 1--       3.899                  4.474                  1.745
 ROA2   Fr= 1--     -33.327                 20.620                -12.682
 CID2   Fr= 1--      -8.548                  4.609                 -7.269
 Raman3 Fr= 1--       7.798                  8.947                  3.490
 ROA3   Fr= 1--    -122.535                 69.929                -14.797
 CID3   Fr= 1--     -15.715                  7.816                 -4.240
 RC180  Fr= 1--      -0.505                  0.509                 -0.095
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04   0.00    -0.00   0.04  -0.01    -0.01  -0.03   0.00
     2   6     0.03  -0.01   0.00    -0.01   0.05  -0.01     0.01   0.01   0.00
     3   6     0.01   0.04   0.01     0.05  -0.09   0.03     0.02   0.04  -0.02
     4   6     0.10  -0.07  -0.05    -0.05   0.07  -0.05    -0.03  -0.03   0.05
     5   6    -0.04  -0.02   0.03    -0.01   0.08   0.01    -0.07  -0.05   0.00
     6   6    -0.00   0.06  -0.01     0.00  -0.11   0.02     0.04   0.02  -0.00
     7   6     0.04   0.06   0.08    -0.02  -0.04   0.17    -0.07  -0.11  -0.12
     8   6    -0.04   0.03  -0.02     0.02  -0.01  -0.12     0.02   0.20  -0.10
     9   8     0.08  -0.09   0.03     0.02  -0.02   0.05     0.13  -0.16   0.08
    10   6    -0.12   0.08  -0.03    -0.05  -0.02  -0.00    -0.16   0.12   0.01
    11   1    -0.05  -0.06  -0.02    -0.18   0.23  -0.06     0.08  -0.13   0.03
    12   1     0.04   0.04   0.02     0.10   0.37  -0.05     0.03   0.06  -0.01
    13   1     0.01   0.03  -0.04     0.32  -0.05  -0.00     0.17   0.08   0.04
    14   1     0.03   0.07  -0.02    -0.12  -0.14   0.01     0.31   0.07   0.02
    15   1     0.44   0.17   0.16     0.01  -0.18   0.05    -0.29  -0.24  -0.23
    16   6    -0.10  -0.02  -0.08     0.03   0.06  -0.08     0.06   0.02   0.09
    17   1     0.08  -0.00   0.03    -0.19   0.16  -0.22     0.12   0.26  -0.09
    18   1    -0.11  -0.26   0.00     0.07   0.11   0.18    -0.01   0.02  -0.02
    19   1    -0.04  -0.06   0.06    -0.08  -0.04   0.01    -0.06   0.04   0.04
    20   1     0.02   0.19   0.04     0.09  -0.01  -0.00     0.20   0.12  -0.03
    21   1     0.25  -0.04  -0.08     0.12  -0.28  -0.34    -0.23   0.06   0.11
    22   1    -0.05   0.24   0.40    -0.08  -0.13   0.12     0.04  -0.17  -0.28
    23   1     0.25  -0.25  -0.27    -0.02  -0.02   0.25    -0.20   0.20   0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1157.1200              1186.3515              1217.2456
 Red. masses --      1.6455                 1.1203                 1.9545
 Frc consts  --      1.2981                 0.9290                 1.7063
 IR Inten    --      2.5336                 0.3320                 1.2603
 RamAct Fr= 1--      2.2654                 5.7136                 9.7854
  Dep-P Fr= 1--      0.7497                 0.6342                 0.1524
  Dep-U Fr= 1--      0.8570                 0.7762                 0.2645
 Alpha2 Fr= 1--      0.0000                 0.0120                 0.1503
 Beta2  Fr= 1--      0.3236                 0.7391                 0.4314
 AlphaG Fr= 1--     -0.0000                -0.0193                -0.0610
 Gamma2 Fr= 1--      0.5802                -0.9137                -1.0940
 Delta2 Fr= 1--      0.0381                 0.0411                -0.9652
 Raman1 Fr= 1--       9.061                 22.855                 39.142
 ROA1   Fr= 1--      56.916                -86.404               -135.913
 CID1   Fr= 1--       6.281                 -3.781                 -3.472
 Raman2 Fr= 1--       3.883                  8.869                  5.177
 ROA2   Fr= 1--      13.619                -22.259                -18.535
 CID2   Fr= 1--       3.508                 -2.510                 -3.580
 Raman3 Fr= 1--       7.765                 17.739                 10.354
 ROA3   Fr= 1--      56.916                -86.404               -135.913
 CID3   Fr= 1--       7.329                 -4.871                -13.126
 RC180  Fr= 1--       0.714                  0.552                 -0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.04  -0.04   0.01    -0.07  -0.03   0.00
     2   6    -0.02  -0.03   0.00     0.02   0.06  -0.01     0.03   0.00   0.00
     3   6    -0.06   0.06  -0.01    -0.03  -0.01   0.00     0.02  -0.01  -0.00
     4   6    -0.05  -0.03  -0.02     0.01  -0.00   0.00     0.22  -0.03   0.05
     5   6     0.01  -0.03   0.03     0.01   0.01   0.00     0.02  -0.07   0.02
     6   6     0.05   0.06  -0.01    -0.03   0.00  -0.00    -0.07   0.05  -0.02
     7   6    -0.05   0.04   0.09    -0.01   0.00  -0.00    -0.05   0.05   0.02
     8   6     0.07  -0.06  -0.06     0.00   0.00  -0.01     0.01  -0.02  -0.04
     9   8    -0.03   0.00   0.02     0.00  -0.00   0.00    -0.02   0.01   0.01
    10   6     0.01   0.03  -0.03    -0.01  -0.00   0.00     0.03   0.01  -0.00
    11   1     0.31  -0.32   0.08     0.39  -0.45   0.11    -0.31   0.23  -0.06
    12   1    -0.15  -0.37   0.06     0.20   0.55  -0.08     0.02  -0.04   0.01
    13   1    -0.28   0.02  -0.04    -0.37  -0.08  -0.01    -0.20  -0.06  -0.00
    14   1     0.40   0.13   0.01    -0.35  -0.06  -0.01    -0.23   0.02  -0.02
    15   1    -0.09   0.07   0.12    -0.04  -0.01  -0.01    -0.77   0.01   0.01
    16   6     0.04   0.02  -0.06     0.00   0.00  -0.00     0.02   0.00  -0.03
    17   1    -0.23   0.01  -0.14    -0.00   0.01  -0.01    -0.10   0.10  -0.11
    18   1     0.13   0.08   0.25    -0.00  -0.00   0.00     0.02   0.01   0.07
    19   1    -0.11  -0.05   0.03    -0.02  -0.00   0.00    -0.06  -0.00   0.01
    20   1     0.12   0.12   0.01    -0.00   0.00   0.00     0.15   0.03  -0.01
    21   1     0.04  -0.14  -0.18    -0.01   0.00   0.00    -0.02  -0.03  -0.06
    22   1    -0.02  -0.10  -0.02     0.00  -0.00  -0.01     0.00  -0.02  -0.01
    23   1    -0.03   0.02   0.12    -0.01   0.00   0.01    -0.04   0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1228.9168              1254.4697              1286.4224
 Red. masses --      2.9533                 1.1474                 1.5934
 Frc consts  --      2.6279                 1.0638                 1.5536
 IR Inten    --     10.0118                 8.6617                 4.6922
 RamAct Fr= 1--     17.5551                 4.0176                 5.0237
  Dep-P Fr= 1--      0.1063                 0.4673                 0.3337
  Dep-U Fr= 1--      0.1921                 0.6370                 0.5004
 Alpha2 Fr= 1--      0.3027                 0.0229                 0.0465
 Beta2  Fr= 1--      0.5621                 0.4265                 0.4190
 AlphaG Fr= 1--     -0.0041                 0.0457                 0.0301
 Gamma2 Fr= 1--     -1.0198                -0.5591                 2.6354
 Delta2 Fr= 1--     -0.6175                -2.1540                -1.1599
 Raman1 Fr= 1--      70.221                 16.070                 20.095
 ROA1   Fr= 1--    -117.659               -122.601                215.883
 CID1   Fr= 1--      -1.676                 -7.629                 10.743
 Raman2 Fr= 1--       6.745                  5.118                  5.027
 ROA2   Fr= 1--     -19.535                  3.814                 72.529
 CID2   Fr= 1--      -2.896                  0.745                 14.426
 Raman3 Fr= 1--      13.490                 10.237                 10.055
 ROA3   Fr= 1--    -117.659               -122.601                215.883
 CID3   Fr= 1--      -8.722                -11.977                 21.470
 RC180  Fr= 1--      -0.616                  0.274                  0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     2   6    -0.11  -0.00  -0.01     0.01   0.00   0.00     0.02  -0.02   0.01
     3   6    -0.05  -0.11   0.02    -0.01  -0.00  -0.00    -0.01  -0.04   0.01
     4   6     0.06   0.09  -0.01    -0.01   0.03   0.00     0.02   0.10  -0.01
     5   6     0.26   0.18  -0.01    -0.03  -0.03  -0.03    -0.11   0.05  -0.01
     6   6     0.04   0.03  -0.00    -0.01  -0.01   0.01     0.01  -0.05   0.01
     7   6     0.01  -0.02  -0.01     0.03  -0.00   0.03     0.10  -0.01   0.01
     8   6    -0.03   0.05  -0.03    -0.03   0.01  -0.01    -0.07  -0.01   0.00
     9   8     0.06  -0.06   0.03     0.04  -0.02   0.02     0.02   0.02  -0.03
    10   6    -0.14  -0.06   0.01    -0.01   0.02  -0.01    -0.00  -0.03   0.03
    11   1    -0.02   0.04  -0.01     0.01  -0.01   0.01    -0.04   0.03  -0.01
    12   1    -0.29  -0.46   0.07     0.02   0.01  -0.01     0.06   0.09  -0.01
    13   1    -0.48  -0.20   0.01    -0.07  -0.01  -0.01    -0.49  -0.13  -0.00
    14   1    -0.14   0.01  -0.00     0.13   0.01   0.00     0.61   0.06   0.03
    15   1    -0.04  -0.04  -0.04    -0.27   0.06   0.09    -0.20  -0.15  -0.10
    16   6    -0.01   0.00   0.01    -0.00   0.02  -0.02    -0.03  -0.01  -0.00
    17   1     0.07   0.08  -0.01    -0.03  -0.37   0.14     0.08   0.12  -0.02
    18   1    -0.06  -0.06  -0.04     0.06   0.41  -0.22    -0.07  -0.02  -0.12
    19   1    -0.18  -0.11   0.02     0.54  -0.00  -0.01    -0.11   0.04  -0.02
    20   1    -0.39  -0.09   0.03    -0.45   0.01   0.03     0.37  -0.07  -0.04
    21   1     0.00   0.01   0.02     0.05  -0.05  -0.08     0.07   0.05   0.06
    22   1     0.00   0.02   0.02    -0.02  -0.01   0.04     0.00   0.09   0.07
    23   1     0.00  -0.00  -0.01     0.02  -0.02   0.05     0.04  -0.06  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1310.0657              1332.4839              1348.4035
 Red. masses --      1.4228                 2.3005                 1.5786
 Frc consts  --      1.4387                 2.4066                 1.6910
 IR Inten    --      3.2855                 0.5223                 3.7080
 RamAct Fr= 1--      6.2872                10.6107                 9.3802
  Dep-P Fr= 1--      0.2702                 0.3146                 0.4361
  Dep-U Fr= 1--      0.4254                 0.4786                 0.6073
 Alpha2 Fr= 1--      0.0704                 0.1041                 0.0608
 Beta2  Fr= 1--      0.4458                 0.8464                 0.9495
 AlphaG Fr= 1--      0.0694                -0.0869                -0.1035
 Gamma2 Fr= 1--     -0.9808                -1.1684                -0.3115
 Delta2 Fr= 1--      1.9529                 1.7272                -2.3167
 Raman1 Fr= 1--      25.149                 42.443                 37.521
 ROA1   Fr= 1--     -31.666                -56.897               -104.042
 CID1   Fr= 1--      -1.259                 -1.341                 -2.773
 Raman2 Fr= 1--       5.349                 10.157                 11.394
 ROA2   Fr= 1--     -39.164                -41.859                 11.056
 CID2   Fr= 1--      -7.321                 -4.121                  0.970
 Raman3 Fr= 1--      10.699                 20.314                 22.788
 ROA3   Fr= 1--     -31.666                -56.897               -104.042
 CID3   Fr= 1--      -2.960                 -2.801                 -4.566
 RC180  Fr= 1--      -0.149                 -0.043                  0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.01    -0.08   0.07  -0.02     0.04  -0.04   0.01
     2   6    -0.01  -0.05   0.01    -0.05  -0.10   0.02     0.02   0.04  -0.01
     3   6     0.06  -0.00   0.01     0.12   0.00   0.00    -0.05  -0.01  -0.00
     4   6     0.04  -0.04   0.00     0.02  -0.11   0.03     0.00   0.07   0.01
     5   6    -0.05   0.07  -0.04    -0.05   0.14  -0.02     0.01  -0.04  -0.00
     6   6     0.04   0.00   0.01     0.10   0.03   0.00    -0.06  -0.02  -0.00
     7   6    -0.05   0.04   0.00    -0.07  -0.08  -0.04     0.03  -0.13  -0.08
     8   6     0.05  -0.01  -0.02     0.02   0.04   0.04     0.03   0.02   0.02
     9   8    -0.05   0.03   0.05     0.01   0.02  -0.05    -0.04   0.01   0.03
    10   6    -0.01  -0.03  -0.03    -0.05  -0.05   0.03     0.02   0.01  -0.02
    11   1    -0.03   0.00  -0.00     0.02  -0.05   0.01    -0.05   0.06  -0.01
    12   1     0.04   0.10  -0.02     0.04   0.15  -0.02     0.01   0.00   0.00
    13   1    -0.22  -0.06  -0.01    -0.24  -0.07   0.01    -0.01   0.00   0.01
    14   1     0.11   0.02   0.00    -0.05   0.00  -0.01     0.16   0.02   0.01
    15   1     0.17  -0.20  -0.20    -0.07   0.48   0.43    -0.05   0.51   0.45
    16   6     0.01  -0.03   0.02     0.02   0.05  -0.03    -0.01   0.06  -0.02
    17   1    -0.04   0.26  -0.14    -0.03  -0.38   0.19     0.12   0.34  -0.08
    18   1    -0.03  -0.34   0.24     0.03   0.07  -0.06    -0.07  -0.40   0.17
    19   1     0.65  -0.00  -0.04    -0.03   0.04  -0.04     0.18   0.00  -0.01
    20   1    -0.26   0.04   0.04     0.32  -0.06  -0.02    -0.15   0.05   0.03
    21   1    -0.05   0.06   0.08    -0.02  -0.09  -0.14     0.03  -0.07  -0.11
    22   1     0.04   0.01  -0.06    -0.06  -0.09   0.07    -0.09  -0.07   0.12
    23   1    -0.04   0.03  -0.05    -0.03   0.03   0.14     0.04  -0.03   0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1359.6073              1382.8457              1403.0985
 Red. masses --      1.8434                 1.2976                 1.2715
 Frc consts  --      2.0076                 1.4619                 1.4749
 IR Inten    --      2.6903                 3.4691                 7.5370
 RamAct Fr= 1--      3.0225                 0.6618                 1.3889
  Dep-P Fr= 1--      0.0834                 0.4553                 0.3763
  Dep-U Fr= 1--      0.1540                 0.6257                 0.5468
 Alpha2 Fr= 1--      0.0551                 0.0040                 0.0112
 Beta2  Fr= 1--      0.0776                 0.0690                 0.1266
 AlphaG Fr= 1--      0.0532                 0.0053                -0.0164
 Gamma2 Fr= 1--      0.5599                -0.0490                 0.0032
 Delta2 Fr= 1--      0.9601                -0.1880                -0.2327
 Raman1 Fr= 1--      12.090                  2.647                  5.555
 ROA1   Fr= 1--      84.473                -10.723                 -7.140
 CID1   Fr= 1--       6.987                 -4.051                 -1.285
 Raman2 Fr= 1--       0.931                  0.828                  1.519
 ROA2   Fr= 1--       5.756                  0.327                  1.938
 CID2   Fr= 1--       6.183                  0.394                  1.276
 Raman3 Fr= 1--       1.862                  1.656                  3.038
 ROA3   Fr= 1--      84.473                -10.723                 -7.140
 CID3   Fr= 1--      45.370                 -6.474                 -2.350
 RC180  Fr= 1--      -0.692                  0.251                  0.094
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.08   0.02     0.02  -0.00   0.00     0.01  -0.00   0.00
     2   6     0.02   0.04  -0.01     0.01   0.04  -0.01     0.01   0.03  -0.00
     3   6    -0.02  -0.01   0.00    -0.05  -0.01  -0.00    -0.03  -0.01   0.00
     4   6     0.10   0.08  -0.02    -0.01   0.01   0.00     0.01   0.00  -0.00
     5   6     0.01  -0.03   0.01     0.04  -0.01   0.00     0.02  -0.00   0.00
     6   6    -0.09  -0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
     7   6    -0.17  -0.02   0.01     0.04  -0.00   0.03    -0.02   0.01  -0.01
     8   6     0.05   0.05   0.02     0.02   0.07  -0.01    -0.02  -0.04   0.01
     9   8    -0.00  -0.00  -0.03    -0.02   0.03  -0.02     0.01   0.02  -0.00
    10   6     0.00  -0.00   0.01    -0.08  -0.04   0.01    -0.07  -0.03   0.01
    11   1    -0.21   0.20  -0.06     0.08  -0.07   0.02     0.04  -0.04   0.01
    12   1     0.04   0.09  -0.01    -0.06  -0.14   0.02    -0.04  -0.10   0.01
    13   1    -0.24  -0.05  -0.01     0.18   0.03   0.01     0.11   0.02  -0.00
    14   1     0.29   0.05   0.01    -0.09  -0.03  -0.00    -0.05  -0.02  -0.00
    15   1     0.62  -0.03  -0.02    -0.19  -0.12  -0.06     0.08   0.06   0.03
    16   6     0.05   0.00   0.01    -0.02   0.02   0.02     0.04  -0.05  -0.09
    17   1    -0.13  -0.42   0.16    -0.14  -0.40   0.13     0.09   0.13  -0.02
    18   1     0.05   0.07  -0.01    -0.11  -0.42   0.07     0.05   0.21  -0.01
    19   1    -0.02   0.00  -0.00     0.40   0.06  -0.06     0.28   0.08  -0.06
    20   1     0.09  -0.00  -0.00     0.48   0.05  -0.00     0.32   0.06   0.02
    21   1    -0.17  -0.04  -0.03     0.07  -0.09  -0.06    -0.16   0.37   0.26
    22   1     0.00  -0.12  -0.07    -0.01  -0.05  -0.11     0.02   0.14   0.43
    23   1    -0.06   0.09  -0.01     0.10  -0.05  -0.08    -0.28   0.08   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.1794              1486.7781              1490.0524
 Red. masses --      1.3198                 1.6298                 1.1659
 Frc consts  --      1.5706                 2.1227                 1.5252
 IR Inten    --      9.9674                 9.4606                 1.4798
 RamAct Fr= 1--      3.6381                 3.8000                14.8247
  Dep-P Fr= 1--      0.5222                 0.5543                 0.6717
  Dep-U Fr= 1--      0.6861                 0.7132                 0.8036
 Alpha2 Fr= 1--      0.0161                 0.0142                 0.0206
 Beta2  Fr= 1--      0.4160                 0.4517                 1.9856
 AlphaG Fr= 1--     -0.0352                -0.0069                 0.0301
 Gamma2 Fr= 1--     -0.6313                -0.9150                 0.1125
 Delta2 Fr= 1--     -0.0743                 2.1512                 0.2181
 Raman1 Fr= 1--      14.552                 15.200                 59.299
 ROA1   Fr= 1--     -62.979                -19.005                 17.781
 CID1   Fr= 1--      -4.328                 -1.250                  0.300
 Raman2 Fr= 1--       4.992                  5.421                 23.828
 ROA2   Fr= 1--     -14.555                -39.171                  0.956
 CID2   Fr= 1--      -2.916                 -7.226                  0.040
 Raman3 Fr= 1--       9.984                 10.841                 47.655
 ROA3   Fr= 1--     -62.979                -19.005                 17.781
 CID3   Fr= 1--      -6.308                 -1.753                  0.373
 RC180  Fr= 1--       0.372                  0.426                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00     0.10  -0.05   0.02    -0.04   0.03  -0.01
     2   6     0.01   0.02  -0.00    -0.07  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.00   0.00     0.01   0.07  -0.01    -0.01  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.08  -0.06   0.01     0.03   0.01   0.00
     5   6     0.02  -0.01  -0.00     0.09  -0.01   0.01    -0.04   0.02  -0.01
     6   6    -0.01  -0.00  -0.00    -0.04   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.03   0.01  -0.03     0.02   0.02   0.00    -0.01   0.01   0.00
     8   6    -0.03  -0.09   0.03     0.00   0.00  -0.01     0.03   0.01   0.02
     9   8     0.02   0.02   0.00     0.00  -0.01   0.00     0.01  -0.01   0.01
    10   6    -0.08  -0.03   0.01    -0.02  -0.05  -0.00     0.02  -0.05   0.00
    11   1     0.01  -0.02   0.00    -0.24   0.34  -0.08     0.11  -0.14   0.03
    12   1    -0.03  -0.07   0.01     0.10   0.40  -0.07    -0.03  -0.15   0.02
    13   1     0.02   0.00   0.00    -0.09   0.06  -0.02     0.07  -0.01   0.01
    14   1    -0.05  -0.01  -0.00     0.11   0.09  -0.01     0.01  -0.03   0.01
    15   1     0.16   0.11   0.05    -0.09  -0.01  -0.02     0.01  -0.02  -0.02
    16   6    -0.02   0.03   0.07    -0.02  -0.01  -0.01     0.01   0.02  -0.01
    17   1     0.14   0.39  -0.11    -0.01  -0.02  -0.00    -0.34   0.07  -0.09
    18   1     0.10   0.44  -0.11     0.00   0.01   0.00    -0.03  -0.08  -0.34
    19   1     0.28   0.11  -0.08    -0.04   0.37  -0.28    -0.14   0.37  -0.27
    20   1     0.31   0.09   0.04     0.02   0.37   0.30    -0.14   0.34   0.30
    21   1     0.08  -0.28  -0.19     0.22   0.07   0.07    -0.20   0.10   0.05
    22   1    -0.01  -0.09  -0.30     0.04   0.07  -0.12    -0.13  -0.28   0.10
    23   1     0.16  -0.02  -0.28    -0.00  -0.06   0.15     0.19  -0.13  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1493.8160              1504.3650              1506.9346
 Red. masses --      1.0923                 1.1050                 1.1550
 Frc consts  --      1.4361                 1.4734                 1.5453
 IR Inten    --      6.0169                 1.5069                 6.3065
 RamAct Fr= 1--      3.8026                 6.3366                 3.8953
  Dep-P Fr= 1--      0.7403                 0.7493                 0.2561
  Dep-U Fr= 1--      0.8508                 0.8567                 0.4078
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.0454
 Beta2  Fr= 1--      0.5392                 0.9048                 0.2647
 AlphaG Fr= 1--      0.0100                -0.0023                -0.0319
 Gamma2 Fr= 1--     -2.2620                 0.5389                -0.1971
 Delta2 Fr= 1--     -1.4440                -0.9679                 1.0182
 Raman1 Fr= 1--      15.210                 25.346                 15.581
 ROA1   Fr= 1--    -263.363                 20.764                 13.660
 CID1   Fr= 1--     -17.315                  0.819                  0.877
 Raman2 Fr= 1--       6.470                 10.857                  3.177
 ROA2   Fr= 1--     -42.736                 20.678                -12.876
 CID2   Fr= 1--      -6.605                  1.905                 -4.053
 Raman3 Fr= 1--      12.941                 21.714                  6.354
 ROA3   Fr= 1--    -263.363                 20.764                 13.660
 CID3   Fr= 1--     -20.352                  0.956                  2.150
 RC180  Fr= 1--       0.702                  0.713                 -0.184
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.00    -0.02   0.01  -0.00    -0.04   0.01  -0.00
     2   6     0.02   0.02  -0.00     0.02   0.03  -0.00     0.02   0.03  -0.00
     3   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.02  -0.02   0.00
     4   6     0.02   0.01   0.00     0.02   0.01  -0.00     0.02   0.02  -0.00
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.00    -0.03  -0.01  -0.00
     6   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     7   6     0.00  -0.02   0.01    -0.04  -0.02  -0.01    -0.02  -0.00  -0.00
     8   6    -0.01   0.01  -0.01     0.03   0.01   0.03    -0.04   0.01  -0.05
     9   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    10   6     0.02  -0.03   0.00     0.00   0.01   0.00     0.03  -0.03   0.00
    11   1     0.07  -0.09   0.02     0.04  -0.07   0.02     0.05  -0.10   0.02
    12   1    -0.01  -0.08   0.01    -0.03  -0.10   0.02    -0.04  -0.14   0.02
    13   1     0.06  -0.01  -0.00     0.00  -0.02  -0.00    -0.02  -0.03   0.00
    14   1     0.03  -0.01   0.01    -0.03  -0.02   0.00    -0.05  -0.03   0.00
    15   1    -0.03   0.02   0.05     0.08   0.03   0.03     0.05  -0.03  -0.03
    16   6     0.01  -0.04   0.02    -0.04  -0.02  -0.01    -0.02   0.01  -0.00
    17   1     0.09  -0.07   0.04    -0.28   0.06  -0.06     0.50  -0.17   0.14
    18   1    -0.01  -0.02   0.12    -0.01  -0.04  -0.28     0.03   0.12   0.53
    19   1    -0.09   0.22  -0.17    -0.00  -0.02   0.02    -0.08   0.17  -0.13
    20   1    -0.09   0.21   0.19    -0.01  -0.03  -0.02    -0.06   0.16   0.14
    21   1     0.00  -0.29  -0.21     0.61   0.08   0.10     0.21   0.14   0.12
    22   1     0.21   0.48   0.07     0.16   0.27  -0.38    -0.04  -0.14  -0.19
    23   1    -0.39   0.39  -0.22    -0.11  -0.05   0.38     0.15  -0.20   0.22
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2893              1625.7984              1651.6722
 Red. masses --      2.3865                 6.4059                 5.7908
 Frc consts  --      3.2971                 9.9762                 9.3076
 IR Inten    --     15.9820                 2.1688                 1.3194
 RamAct Fr= 1--      0.8107                12.4328                24.2671
  Dep-P Fr= 1--      0.6789                 0.5037                 0.7326
  Dep-U Fr= 1--      0.8087                 0.6699                 0.8456
 Alpha2 Fr= 1--      0.0010                 0.0603                 0.0072
 Beta2  Fr= 1--      0.1093                 1.3882                 3.4202
 AlphaG Fr= 1--     -0.0123                -0.1745                -0.0018
 Gamma2 Fr= 1--     -0.6390                 2.0248                -1.4430
 Delta2 Fr= 1--      0.2126                -1.5090                 2.7012
 Raman1 Fr= 1--       3.243                 49.731                 97.068
 ROA1   Fr= 1--     -54.545                146.092                -52.088
 CID1   Fr= 1--     -16.820                  2.938                 -0.537
 Raman2 Fr= 1--       1.311                 16.658                 41.042
 ROA2   Fr= 1--     -17.037                 60.667                -56.241
 CID2   Fr= 1--     -12.992                  3.642                 -1.370
 Raman3 Fr= 1--       2.623                 33.316                 82.084
 ROA3   Fr= 1--     -54.545                146.092                -52.088
 CID3   Fr= 1--     -20.797                  4.385                 -0.635
 RC180  Fr= 1--       0.617                  0.340                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.02     0.15  -0.29   0.06    -0.21   0.05  -0.02
     2   6    -0.05   0.09  -0.02     0.03   0.33  -0.06     0.18   0.12  -0.01
     3   6     0.16   0.04   0.00    -0.03   0.15  -0.03     0.33   0.04   0.01
     4   6    -0.11   0.11  -0.03    -0.00  -0.32   0.06    -0.21  -0.08   0.00
     5   6    -0.05  -0.14   0.02    -0.11   0.30  -0.06     0.23   0.00   0.02
     6   6     0.16   0.02   0.01     0.02  -0.15   0.03    -0.33  -0.08  -0.01
     7   6     0.02  -0.03   0.01     0.01   0.04  -0.01     0.03   0.01   0.00
     8   6     0.01   0.01   0.01     0.00  -0.01  -0.00     0.01   0.00   0.00
     9   8     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.02  -0.00     0.02  -0.03   0.01    -0.03   0.00  -0.00
    11   1    -0.25   0.14  -0.04    -0.33   0.24  -0.07     0.04  -0.27   0.05
    12   1    -0.18  -0.22   0.03    -0.22  -0.35   0.05     0.06  -0.26   0.05
    13   1    -0.54  -0.09  -0.02    -0.05   0.15  -0.03    -0.42  -0.10  -0.00
    14   1    -0.54  -0.12  -0.02     0.02  -0.16   0.03     0.45   0.07   0.02
    15   1     0.10  -0.02   0.01    -0.20   0.03   0.00    -0.07  -0.01  -0.01
    16   6     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.01
    17   1    -0.08   0.02  -0.02     0.01  -0.01  -0.00    -0.03  -0.00  -0.00
    18   1    -0.02  -0.06  -0.08     0.02   0.05   0.02     0.00  -0.02  -0.02
    19   1     0.07   0.11  -0.07    -0.11  -0.08   0.04     0.04  -0.04   0.03
    20   1     0.09   0.13   0.07    -0.16  -0.12  -0.04     0.07  -0.01  -0.03
    21   1    -0.08  -0.03  -0.03    -0.00  -0.01  -0.01    -0.03   0.01   0.00
    22   1     0.01   0.03   0.08    -0.01  -0.01   0.00    -0.00   0.01   0.05
    23   1    -0.05   0.06  -0.06     0.02  -0.01  -0.03    -0.01   0.01  -0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.9015              2973.9070              3016.6346
 Red. masses --      1.0729                 1.0708                 1.0828
 Frc consts  --      5.4786                 5.5796                 5.8057
 IR Inten    --     53.9367                59.4086                33.5760
 RamAct Fr= 1--    171.2167               106.5327               116.3263
  Dep-P Fr= 1--      0.1874                 0.1974                 0.2152
  Dep-U Fr= 1--      0.3156                 0.3297                 0.3541
 Alpha2 Fr= 1--      2.4039                 1.4566                 1.5170
 Beta2  Fr= 1--      9.0060                 5.8548                 6.8657
 AlphaG Fr= 1--      2.3437                -0.1293                -2.1698
 Gamma2 Fr= 1--     11.5949                -9.3281               -11.4515
 Delta2 Fr= 1--      4.9378                -1.9955                -3.1603
 Raman1 Fr= 1--     684.867                426.131                465.305
 ROA1   Fr= 1--    1271.117               -959.357              -1200.476
 CID1   Fr= 1--       1.856                 -2.251                 -2.580
 Raman2 Fr= 1--     108.072                 70.258                 82.388
 ROA2   Fr= 1--     238.774               -207.912               -249.555
 CID2   Fr= 1--       2.209                 -2.959                 -3.029
 Raman3 Fr= 1--     216.144                140.516                164.777
 ROA3   Fr= 1--    1271.117               -959.357              -1200.476
 CID3   Fr= 1--       5.881                 -6.827                 -7.285
 RC180  Fr= 1--      -0.369                 -0.341                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.01   0.01    -0.00   0.05  -0.06
     8   6     0.00   0.00   0.00     0.00  -0.03  -0.07     0.00  -0.00  -0.01
     9   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00    -0.01   0.10  -0.13     0.02  -0.62   0.75
    16   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    17   1     0.01  -0.03  -0.05    -0.19   0.33   0.88    -0.03   0.06   0.15
    18   1    -0.02   0.00   0.00     0.19  -0.06  -0.02     0.02  -0.00  -0.00
    19   1    -0.01   0.56   0.82    -0.01   0.03   0.04    -0.00   0.01   0.01
    20   1    -0.02   0.05  -0.11    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.03  -0.04
    22   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.10   0.04  -0.02
    23   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.05   0.05   0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.0658              3075.6648              3085.9820
 Red. masses --      1.0363                 1.0879                 1.0935
 Frc consts  --      5.6171                 6.0636                 6.1354
 IR Inten    --     31.9269                21.3002                27.4126
 RamAct Fr= 1--    205.9438               107.3020               127.2467
  Dep-P Fr= 1--      0.0385                 0.3380                 0.2354
  Dep-U Fr= 1--      0.0741                 0.5052                 0.3811
 Alpha2 Fr= 1--      4.1810                 0.9791                 1.5704
 Beta2  Fr= 1--      2.5425                 9.0344                 8.0830
 AlphaG Fr= 1--      0.4194                -1.6172                -0.2233
 Gamma2 Fr= 1--      1.4604                -5.2024                 3.2750
 Delta2 Fr= 1--      1.3935                -0.9348                 0.5441
 Raman1 Fr= 1--     823.775                429.208                508.987
 ROA1   Fr= 1--     184.789               -529.345                331.812
 CID1   Fr= 1--       0.224                 -1.233                  0.652
 Raman2 Fr= 1--      30.510                108.413                 96.995
 ROA2   Fr= 1--      23.902               -117.379                 74.247
 CID2   Fr= 1--       0.783                 -1.083                  0.765
 Raman3 Fr= 1--      61.020                216.826                193.991
 ROA3   Fr= 1--     184.789               -529.345                331.812
 CID3   Fr= 1--       3.028                 -2.441                  1.710
 RC180  Fr= 1--      -0.852                  0.010                 -0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.08   0.03   0.02
     9   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.01   0.04  -0.07     0.00  -0.01   0.01
    11   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.02  -0.01     0.00  -0.01   0.00
    15   1     0.00  -0.05   0.06     0.00   0.00  -0.00    -0.00  -0.01   0.01
    16   6    -0.03   0.03   0.03     0.00   0.00   0.00     0.01   0.00   0.01
    17   1    -0.00   0.01   0.03     0.00  -0.01  -0.02     0.02  -0.06  -0.16
    18   1    -0.03   0.01   0.00     0.09  -0.02  -0.01     0.92  -0.25  -0.06
    19   1    -0.00   0.00   0.00     0.00   0.07   0.07     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.10  -0.59   0.79    -0.01   0.06  -0.08
    21   1     0.01   0.32  -0.38     0.00   0.00  -0.00     0.01   0.06  -0.07
    22   1     0.65  -0.27   0.11    -0.01   0.00  -0.00    -0.09   0.04  -0.02
    23   1    -0.32  -0.36  -0.11    -0.01  -0.01  -0.00    -0.08  -0.11  -0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3096.2558              3111.1214              3153.7078
 Red. masses --      1.0997                 1.1022                 1.0870
 Frc consts  --      6.2116                 6.2858                 6.3697
 IR Inten    --     45.6651                16.4119                14.1620
 RamAct Fr= 1--    114.3691                33.0676                36.3779
  Dep-P Fr= 1--      0.6785                 0.6988                 0.3936
  Dep-U Fr= 1--      0.8084                 0.8227                 0.5648
 Alpha2 Fr= 1--      0.1444                 0.0296                 0.2757
 Beta2  Fr= 1--     15.4101                 4.5340                 3.4245
 AlphaG Fr= 1--     -0.0700                 0.0285                -0.1153
 Gamma2 Fr= 1--     -4.4099                 4.6978                -0.0581
 Delta2 Fr= 1--     -3.3732                 4.8243                 1.1547
 Raman1 Fr= 1--     457.477                132.270                145.512
 ROA1   Fr= 1--    -531.291                605.371                 31.376
 CID1   Fr= 1--      -1.161                  4.577                  0.216
 Raman2 Fr= 1--     184.921                 54.408                 41.094
 ROA2   Fr= 1--     -78.851                 74.153                -10.632
 CID2   Fr= 1--      -0.426                  1.363                 -0.259
 Raman3 Fr= 1--     369.842                108.815                 82.188
 ROA3   Fr= 1--    -531.291                605.371                 31.376
 CID3   Fr= 1--      -1.437                  5.563                  0.382
 RC180  Fr= 1--       0.617                  0.645                  0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.07   0.01
     7   6    -0.00   0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.00   0.00
     8   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.15  -0.13   0.01
    12   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.30  -0.10   0.04
    13   1     0.00  -0.01   0.00    -0.00   0.02  -0.00    -0.06   0.32  -0.06
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.16   0.83  -0.16
    15   1     0.00  -0.03   0.04     0.00  -0.06   0.07    -0.00   0.00  -0.00
    16   6    -0.08   0.00  -0.04     0.02   0.08  -0.04    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.18  -0.05  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    21   1    -0.03  -0.23   0.26    -0.02  -0.50   0.61     0.00   0.00  -0.00
    22   1     0.60  -0.26   0.10     0.13  -0.03   0.01     0.00  -0.00   0.00
    23   1     0.38   0.48   0.14    -0.37  -0.43  -0.14     0.00   0.01   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3158.2020              3177.3846              3192.6550
 Red. masses --      1.0880                 1.0905                 1.0966
 Frc consts  --      6.3941                 6.4868                 6.5858
 IR Inten    --      2.6554                17.8085                20.1273
 RamAct Fr= 1--    134.0441                79.5954               281.4076
  Dep-P Fr= 1--      0.4198                 0.7499                 0.1134
  Dep-U Fr= 1--      0.5914                 0.8571                 0.2037
 Alpha2 Fr= 1--      0.9235                 0.0001                 4.7675
 Beta2  Fr= 1--     13.2123                11.3702                 9.5529
 AlphaG Fr= 1--      0.2727                -0.0017                 0.3185
 Gamma2 Fr= 1--      0.9950                 0.3626                 1.4306
 Delta2 Fr= 1--     -0.8652                -3.3535                 2.8854
 Raman1 Fr= 1--     536.176                318.382               1125.630
 ROA1   Fr= 1--      67.834                -72.500                229.674
 CID1   Fr= 1--       0.127                 -0.228                  0.204
 Raman2 Fr= 1--     158.547                136.443                114.634
 ROA2   Fr= 1--      30.801                 35.532                 11.253
 CID2   Fr= 1--       0.194                  0.260                  0.098
 Raman3 Fr= 1--     317.095                272.885                229.269
 ROA3   Fr= 1--      67.834                -72.500                229.674
 CID3   Fr= 1--       0.214                 -0.266                  1.002
 RC180  Fr= 1--       0.183                  0.714                 -0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.00     0.04   0.03  -0.00    -0.05  -0.04   0.00
     2   6     0.00  -0.00   0.00    -0.05   0.02  -0.01    -0.06   0.02  -0.01
     3   6     0.01  -0.07   0.01    -0.01   0.03  -0.01     0.01  -0.02   0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.01   0.03  -0.01    -0.00   0.02  -0.00    -0.00   0.02  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   1    -0.23  -0.20   0.02    -0.48  -0.41   0.04     0.51   0.44  -0.05
    12   1    -0.03   0.01  -0.00     0.61  -0.21   0.08     0.64  -0.22   0.09
    13   1    -0.15   0.83  -0.16     0.06  -0.30   0.06    -0.04   0.18  -0.04
    14   1     0.07  -0.37   0.07     0.04  -0.25   0.05     0.03  -0.17   0.03
    15   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    23   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   911.056091791.251472470.69734
           X            0.99949  -0.03176   0.00283
           Y            0.03173   0.99945   0.00976
           Z           -0.00314  -0.00967   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09507     0.04835     0.03506
 Rotational constants (GHZ):           1.98093     1.00753     0.73046
 Zero-point vibrational energy     518297.9 (Joules/Mol)
                                  123.87617 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    132.38   171.56   289.98   334.16   365.31
          (Kelvin)            464.60   514.00   554.85   634.34   678.14
                              755.33   797.15   894.76  1016.37  1057.94
                             1070.62  1109.84  1214.26  1262.88  1279.81
                             1346.04  1354.97  1387.28  1406.40  1473.36
                             1493.24  1530.15  1566.55  1627.99  1646.28
                             1664.84  1706.90  1751.34  1768.14  1804.90
                             1850.87  1884.89  1917.15  1940.05  1956.17
                             1989.61  2018.75  2044.76  2139.14  2143.85
                             2149.27  2164.45  2168.14  2203.18  2339.16
                             2376.39  4235.62  4278.79  4340.26  4363.91
                             4425.20  4440.04  4454.82  4476.21  4537.48
                             4543.95  4571.55  4593.52
 
 Zero-point correction=                           0.197409 (Hartree/Particle)
 Thermal correction to Energy=                    0.206472
 Thermal correction to Enthalpy=                  0.207416
 Thermal correction to Gibbs Free Energy=         0.163476
 Sum of electronic and zero-point Energies=           -463.529675
 Sum of electronic and thermal Energies=              -463.520613
 Sum of electronic and thermal Enthalpies=            -463.519668
 Sum of electronic and thermal Free Energies=         -463.563609
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.563             36.629             92.480
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.779
 Vibrational            127.786             30.667             21.813
 Vibration     1          0.602              1.955              3.617
 Vibration     2          0.609              1.933              3.113
 Vibration     3          0.638              1.838              2.119
 Vibration     4          0.653              1.792              1.861
 Vibration     5          0.665              1.756              1.703
 Vibration     6          0.708              1.630              1.295
 Vibration     7          0.732              1.560              1.134
 Vibration     8          0.754              1.501              1.017
 Vibration     9          0.801              1.381              0.824
 Vibration    10          0.828              1.314              0.734
 Vibration    11          0.880              1.195              0.599
 Vibration    12          0.909              1.131              0.536
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.640235D-75        -75.193660       -173.139801
 Total V=0       0.405704D+16         15.608209         35.939230
 Vib (Bot)       0.125747D-88        -88.900504       -204.700975
 Vib (Bot)    1  0.223392D+01          0.349067          0.803757
 Vib (Bot)    2  0.171415D+01          0.234050          0.538920
 Vib (Bot)    3  0.988725D+00         -0.004924         -0.011339
 Vib (Bot)    4  0.847206D+00         -0.072011         -0.165811
 Vib (Bot)    5  0.767262D+00         -0.115056         -0.264927
 Vib (Bot)    6  0.581121D+00         -0.235733         -0.542796
 Vib (Bot)    7  0.514003D+00         -0.289035         -0.665527
 Vib (Bot)    8  0.466986D+00         -0.330696         -0.761456
 Vib (Bot)    9  0.391819D+00         -0.406914         -0.936954
 Vib (Bot)   10  0.357463D+00         -0.446769         -1.028723
 Vib (Bot)   11  0.306059D+00         -0.514194         -1.183976
 Vib (Bot)   12  0.282145D+00         -0.549528         -1.265334
 Vib (V=0)       0.796830D+02          1.901366          4.378057
 Vib (V=0)    1  0.278919D+01          0.445478          1.025751
 Vib (V=0)    2  0.228559D+01          0.358998          0.826623
 Vib (V=0)    3  0.160796D+01          0.206275          0.474967
 Vib (V=0)    4  0.148375D+01          0.171360          0.394571
 Vib (V=0)    5  0.141580D+01          0.151002          0.347695
 Vib (V=0)    6  0.126662D+01          0.102645          0.236350
 Vib (V=0)    7  0.121708D+01          0.085318          0.196452
 Vib (V=0)    8  0.118416D+01          0.073411          0.169034
 Vib (V=0)    9  0.113523D+01          0.055085          0.126839
 Vib (V=0)   10  0.111464D+01          0.047134          0.108530
 Vib (V=0)   11  0.108624D+01          0.035924          0.082718
 Vib (V=0)   12  0.107411D+01          0.031050          0.071495
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.718797D+06          5.856606         13.485334
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 3322                                                 111111111111111111111111111                                         
   11111000 0099                                                 6655544444333332222111100009999 888 7777   6 5 5 44 33 3 222   1    
   97551987 3174                                                 5230099820864318521854386327643 974 7430   2 5 2 74 85 2 530   19   
   37841666 3744                                                 2617440713308206497674294847426 084 1456   2 4 5 11 67 3 422   92   
 
   XXXXXXXX XXXX                                                 XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX X X XXXX   X X X XX XX X XXX   XX   
   XX XXXXX XXXX                                                   XX X XXX     XXX   XXXX XX  X     XX X               X            
   XX XXXXX XXXX                                                   X    XX       XX   X XX XX  X     XX X                            
   XX XXXXX XXXX                                                   X                  X    XX  X     XX                              
   XX XXXXX XXXX                                                   X                  X    X   X     XX                              
   XX   XXX XXXX                                                                      X              XX                              
        XXX XXXX                                                                      X              XX                              
        XX  XXXX                                                                      X              XX                              
        XX  XXXX                                                                      X              XX                              
        X   XXXX                                                                      X                                              
        X    XXX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
              XX                                                                      X                                              
              XX                                                                      X                                              
              X                                                                       X                                              
              X                                                                       X                                              
                                                                                      X                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000027    0.000005340    0.000001084
      2        6          -0.000006133   -0.000001630   -0.000002375
      3        6          -0.000000263    0.000000389   -0.000004202
      4        6           0.000009385   -0.000005473   -0.000005547
      5        6          -0.000005412   -0.000005575    0.000004900
      6        6           0.000002905    0.000002589    0.000003920
      7        6           0.000004272    0.000003956    0.000000704
      8        6          -0.000006133   -0.000005180   -0.000003942
      9        8           0.000003643    0.000016484    0.000017231
     10        6          -0.000005676   -0.000002001   -0.000018918
     11        1          -0.000000008   -0.000000250    0.000000693
     12        1           0.000000245    0.000000232    0.000001076
     13        1          -0.000003571    0.000000692    0.000005274
     14        1          -0.000001332    0.000000365   -0.000000670
     15        1           0.000001386   -0.000000610   -0.000001290
     16        6          -0.000001587   -0.000003767   -0.000001664
     17        1          -0.000001926    0.000000802   -0.000001056
     18        1           0.000000337    0.000000429    0.000002044
     19        1           0.000004594   -0.000002118    0.000004192
     20        1           0.000000562   -0.000004645   -0.000002538
     21        1           0.000002824   -0.000000752    0.000002106
     22        1          -0.000000115    0.000001729    0.000000254
     23        1           0.000002031   -0.000001006   -0.000001277
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018918 RMS     0.000004846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146072D+03 -0.232649D+01  0.271070D+01
      2  -0.232649D+01  0.128067D+03 -0.390715D+01
      3   0.271070D+01 -0.390715D+01  0.848886D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.228344D+01 -0.509652D+01 -0.113393D+02
      2   0.716579D+01 -0.123624D+02 -0.586967D+01
      3   0.610449D+01 -0.478972D+02  0.935141D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.137793D+03  0.138860D+02  0.293229D+01
      2  -0.697793D+02  0.697257D+01  0.937275D+01
      3  -0.680141D+02 -0.208586D+02 -0.123050D+02
      4   0.509297D+02  0.663349D+02 -0.278162D+02
      5   0.257960D+01 -0.288979D+02 -0.188886D+02
      6  -0.128980D+02  0.816381D+01  0.148100D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.206476D+01  0.156752D+01 -0.269609D+00  0.349772D+01 -0.112160D+01
      2   0.156752D+01  0.157864D+01 -0.468746D+00 -0.112160D+01  0.229367D+01
      3  -0.269609D+00 -0.468746D+00  0.195077D+01  0.861761D+00  0.835955D+00
                 6             7             8             9            10 
      1   0.861761D+00 -0.120111D+01  0.756446D+00  0.383682D+01  0.457091D+01
      2   0.835955D+00  0.756446D+00  0.642266D+00  0.262940D+01 -0.896405D+00
      3   0.145409D+01  0.383682D+01  0.262940D+01 -0.387542D+00 -0.438616D+00
                11            12            13            14            15 
      1  -0.896405D+00 -0.438616D+00 -0.152272D+01 -0.108347D+01  0.103445D+01
      2   0.230256D+01 -0.926895D-01 -0.108347D+01 -0.249850D+01 -0.693962D+00
      3  -0.926895D-01  0.215007D+01  0.103445D+01 -0.693962D+00 -0.629043D+00
                16            17            18            19            20 
      1  -0.161120D-01  0.117224D+01  0.471210D+01  0.796177D-01 -0.444554D+01
      2   0.117224D+01  0.146807D+00 -0.122793D+01 -0.444554D+01  0.243228D+00
      3   0.471210D+01 -0.122793D+01  0.101216D+01  0.211573D+00 -0.152509D+00
                21            22            23            24            25 
      1   0.211573D+00  0.421339D+01 -0.966169D+00 -0.935103D-01 -0.565769D+00
      2  -0.152509D+00 -0.966169D+00  0.152097D+01  0.955941D+00 -0.871101D+00
      3  -0.444489D+00 -0.935103D-01  0.955941D+00  0.166264D+01  0.129027D+00
                26            27            28            29            30 
      1  -0.871101D+00  0.129027D+00 -0.110181D+02  0.530051D+01 -0.270070D+00
      2   0.118301D+01  0.321902D+01  0.530051D+01 -0.539495D+01  0.149980D+00
      3   0.321902D+01 -0.224270D+01 -0.270070D+00  0.149980D+00 -0.157651D+01
                31            32            33            34            35 
      1   0.898438D+01  0.138508D+01 -0.610509D+00 -0.208702D+01 -0.816912D+00
      2   0.138508D+01  0.226385D+01 -0.302827D+00 -0.816912D+00 -0.267624D+00
      3  -0.610509D+00 -0.302827D+00  0.459429D+00 -0.291311D+01  0.177082D+01
                36            37            38            39            40 
      1  -0.291311D+01 -0.129737D+01 -0.410318D+01  0.477505D+00 -0.119980D+02
      2   0.177082D+01 -0.410318D+01 -0.623768D+01  0.285399D+00 -0.230160D+01
      3  -0.689324D+00  0.477505D+00  0.285399D+00 -0.117289D+01 -0.387455D+00
                41            42            43            44            45 
      1  -0.230160D+01 -0.387455D+00  0.289017D+01 -0.124066D+00 -0.187189D+01
      2  -0.514151D+01 -0.143196D+00 -0.124066D+00 -0.362610D+00 -0.266740D+01
      3  -0.143196D+00 -0.926590D+00 -0.187189D+01 -0.266740D+01  0.406073D+00
                46            47            48            49            50 
      1  -0.283909D+01  0.322372D+01 -0.263972D+00 -0.371693D+01  0.235568D+00
      2   0.322372D+01  0.256732D+01  0.457863D+00  0.235568D+00 -0.825803D+00
      3  -0.263972D+00  0.457863D+00 -0.116648D+00  0.685258D-01 -0.849691D+00
                51            52            53            54            55 
      1   0.685258D-01  0.287611D+00  0.529126D+00  0.128589D+01  0.157028D+01
      2  -0.849691D+00  0.529126D+00 -0.136480D+01 -0.318161D+01 -0.582612D+00
      3  -0.170698D+01  0.128589D+01 -0.318161D+01  0.191802D+01 -0.271472D+00
                56            57            58            59            60 
      1  -0.582612D+00 -0.271472D+00 -0.203950D+01  0.433237D+01  0.132447D+01
      2   0.299097D+01  0.155427D+01  0.433237D+01 -0.157798D+01  0.190130D+01
      3   0.155427D+01  0.165359D+01  0.132447D+01  0.190130D+01 -0.384686D+01
                61            62            63            64            65 
      1  -0.195486D+01  0.197971D+01  0.343597D+01  0.689796D+01 -0.262650D+01
      2   0.197971D+01  0.718851D+00 -0.487494D+01 -0.262650D+01 -0.156635D+01
      3   0.343597D+01 -0.487494D+01  0.132946D+01 -0.276263D-01 -0.101314D+01
                66            67            68            69            70 
      1  -0.276263D-01 -0.408210D+01 -0.101972D+01 -0.990651D+00 -0.222019D+00
      2  -0.101314D+01 -0.101972D+01  0.250060D-01 -0.131253D+01 -0.374894D+00
      3  -0.191057D+01 -0.990651D+00 -0.131253D+01  0.156472D+01 -0.111296D+00
                71            72            73            74            75 
      1  -0.374894D+00 -0.111296D+00 -0.607557D+01 -0.523533D+00  0.995183D+00
      2  -0.894800D+00  0.335996D+01 -0.523533D+00  0.902064D+00  0.788138D+00
      3   0.335996D+01  0.604232D+01  0.995183D+00  0.788138D+00  0.167263D+00
                76            77            78            79            80 
      1   0.648117D+00 -0.161980D+01  0.468874D+00  0.119705D+01 -0.709005D-01
      2  -0.161980D+01 -0.300036D+01  0.134824D+01 -0.709005D-01  0.147040D+01
      3   0.468874D+00  0.134824D+01 -0.395954D-01 -0.122142D+01 -0.197179D+01
                81            82            83            84            85 
      1  -0.122142D+01  0.245545D+01 -0.431955D-01  0.710326D-01  0.127171D+01
      2  -0.197179D+01 -0.431955D-01 -0.997298D+00 -0.206679D+00  0.342252D+01
      3   0.548277D+00  0.710326D-01 -0.206679D+00 -0.908380D+00  0.403972D+00
                86            87            88            89            90 
      1   0.342252D+01  0.403972D+00  0.325988D+00  0.998683D+00  0.121489D+01
      2   0.829161D+01  0.497180D+00  0.998683D+00  0.176606D+01  0.634539D+01
      3   0.497180D+00  0.375145D+01  0.121489D+01  0.634539D+01  0.641645D+00
                91            92            93            94            95 
      1   0.785007D+01  0.438343D+01 -0.392683D+00  0.450860D+01  0.421261D+01
      2   0.438343D+01  0.311953D+01 -0.218699D+00  0.421261D+01  0.454401D+01
      3  -0.392683D+00 -0.218699D+00  0.786590D+00 -0.514136D+00 -0.414856D+00
                96            97            98            99           100 
      1  -0.514136D+00 -0.374233D+00 -0.432255D+00  0.193321D+00  0.121837D+02
      2  -0.414856D+00 -0.432255D+00 -0.622840D+00  0.222689D+00 -0.292058D+01
      3   0.705412D+00  0.193321D+00  0.222689D+00 -0.131415D+00  0.120814D+01
               101           102           103           104           105 
      1  -0.292058D+01  0.120814D+01 -0.293106D+01  0.238934D+01 -0.595753D+00
      2   0.144613D+01 -0.283082D+00  0.238934D+01 -0.142221D+01  0.313695D+00
      3  -0.283082D+00  0.106813D+01 -0.595753D+00  0.313695D+00 -0.396587D+00
               106           107           108           109           110 
      1   0.148594D+01 -0.609984D+00  0.318936D+00 -0.455288D+00  0.137038D+01
      2  -0.609984D+00  0.420460D+00 -0.181743D+00  0.137038D+01 -0.919010D+00
      3   0.318936D+00 -0.181743D+00  0.240425D+00 -0.223966D+00  0.280826D+00
               111           112           113           114           115 
      1  -0.223966D+00  0.113267D+01 -0.506100D+00  0.292758D-01 -0.226260D+00
      2   0.280826D+00 -0.506100D+00  0.970992D+01 -0.170342D+01  0.280464D+00
      3  -0.161240D+00  0.292758D-01 -0.170342D+01  0.123562D+01  0.488841D-01
               116           117           118           119           120 
      1   0.280464D+00  0.488841D-01  0.114667D+01 -0.174941D+01  0.380885D+00
      2  -0.188847D+01  0.532669D+00 -0.174941D+01  0.171348D+01 -0.385272D+00
      3   0.532669D+00 -0.352886D+00  0.380885D+00 -0.385272D+00  0.329709D+00
               121           122           123           124           125 
      1  -0.167300D+01  0.246202D+01 -0.451057D+00  0.274204D+00 -0.553460D+00
      2   0.246202D+01 -0.100979D+02  0.168286D+01 -0.553460D+00  0.189021D+01
      3  -0.451057D+00  0.168286D+01 -0.124090D+01  0.251561D+00 -0.573919D+00
               126           127           128           129           130 
      1   0.251561D+00 -0.269523D+00  0.922331D+00 -0.119793D+01  0.206629D+01
      2  -0.573919D+00  0.922331D+00 -0.571362D+00  0.894566D-01 -0.190588D+01
      3   0.374411D+00 -0.119793D+01  0.894566D-01 -0.618453D+00  0.477120D+00
               131           132           133           134           135 
      1  -0.190588D+01  0.477120D+00 -0.166348D+01  0.788309D+00 -0.156132D+01
      2   0.437519D+01 -0.256591D+01  0.788309D+00 -0.268534D+01  0.324100D+01
      3  -0.256591D+01  0.291167D+01 -0.156132D+01  0.324100D+01 -0.518973D+01
               136           137           138           139           140 
      1   0.577346D+01 -0.474805D+01  0.157415D+00 -0.254812D+01 -0.187536D+01
      2  -0.474805D+01 -0.105783D+01 -0.211113D+01 -0.187536D+01 -0.111134D+01
      3   0.157415D+00 -0.211113D+01 -0.125562D+01 -0.225306D+01 -0.126534D+01
               141           142           143           144           145 
      1  -0.225306D+01  0.403324D+01 -0.375331D+01 -0.204706D+01 -0.557055D+00
      2  -0.126534D+01 -0.375331D+01  0.365274D+00  0.372370D+01 -0.115025D+00
      3   0.331303D+01 -0.204706D+01  0.372370D+01 -0.808123D+00 -0.107362D+01
               146           147           148           149           150 
      1  -0.115025D+00 -0.107362D+01 -0.935941D-01 -0.150318D+00 -0.310520D+00
      2   0.535440D+00  0.285126D+00 -0.150318D+00 -0.151393D+01 -0.171180D+01
      3   0.285126D+00  0.104947D+01 -0.310520D+00 -0.171180D+01 -0.218105D+01
               151           152           153           154           155 
      1  -0.140569D+01 -0.301641D+00 -0.149075D+01 -0.118766D+02  0.138073D+01
      2  -0.301641D+00 -0.168250D+01 -0.202287D+01  0.138073D+01 -0.117707D+01
      3  -0.149075D+01 -0.202287D+01 -0.875430D+01 -0.103725D+01  0.139860D+00
               156           157           158           159           160 
      1  -0.103725D+01  0.234313D+01 -0.152868D+01  0.361152D+00  0.205092D+00
      2   0.139860D+00 -0.152868D+01  0.948107D+00  0.673910D-02  0.775858D-01
      3  -0.108493D+01  0.361152D+00  0.673910D-02  0.646306D-01 -0.140213D+01
               161           162           163           164           165 
      1   0.775858D-01 -0.140213D+01 -0.595735D+00 -0.105470D+01 -0.103661D+01
      2   0.264067D+00 -0.110926D-01 -0.105470D+01  0.299737D+00 -0.664307D-01
      3  -0.110926D-01 -0.602838D+00 -0.103661D+01 -0.664307D-01 -0.149581D+00
               166           167           168           169           170 
      1  -0.145257D+01 -0.160582D+01 -0.463355D+00 -0.245648D+01 -0.128467D+01
      2  -0.160582D+01 -0.728834D+01 -0.283384D+01 -0.128467D+01 -0.536569D+01
      3  -0.463355D+00 -0.283384D+01 -0.221535D+01 -0.884936D+00 -0.435635D+01
               171           172           173           174           175 
      1  -0.884936D+00 -0.604976D-01 -0.560302D+00  0.936293D+00 -0.114443D+01
      2  -0.435635D+01 -0.560302D+00  0.620360D+00 -0.241834D+00 -0.124060D+01
      3  -0.414546D+01  0.936293D+00 -0.241834D+00  0.223856D+00  0.289757D+00
               176           177           178           179           180 
      1  -0.124060D+01  0.289757D+00  0.165295D+01  0.709402D+00 -0.594271D+00
      2  -0.623282D+01  0.278547D+01  0.709402D+00  0.413908D+01 -0.398750D+01
      3   0.278547D+01 -0.245609D+01 -0.594271D+00 -0.398750D+01  0.409840D+01
               181           182           183           184           185 
      1  -0.903784D+00 -0.649270D-01  0.882366D+00 -0.926764D+00  0.162574D+00
      2  -0.649270D-01  0.110190D+00  0.297990D+00  0.162574D+00 -0.189385D+01
      3   0.882366D+00  0.297990D+00 -0.109481D+00  0.853389D+00  0.108478D+01
               186           187           188           189           190 
      1   0.853389D+00  0.100831D+01  0.450083D+00 -0.953586D+00 -0.101627D+02
      2   0.108478D+01  0.450083D+00  0.128061D+01 -0.134248D+01  0.455809D+01
      3  -0.299296D+01 -0.953586D+00 -0.134248D+01  0.544132D+01  0.685407D+00
               191           192           193           194           195 
      1   0.455809D+01  0.685407D+00  0.357648D+01 -0.278841D+01 -0.264784D-01
      2  -0.298526D+01 -0.369892D+00 -0.278841D+01  0.295384D+01  0.385704D+00
      3  -0.369892D+00 -0.125545D+01 -0.264784D-01  0.385704D+00  0.255018D+00
               196           197           198           199           200 
      1  -0.132331D+01  0.779575D+00 -0.103443D+01  0.151835D+01  0.172723D+01
      2   0.779575D+00 -0.613035D+00  0.256791D+00  0.172723D+01  0.247717D+01
      3  -0.103443D+01  0.256791D+00 -0.160354D+00  0.497623D+00  0.128119D+01
               201           202           203           204           205 
      1   0.497623D+00  0.188630D+01  0.111144D+01  0.523743D+00  0.135785D+00
      2   0.128119D+01  0.111144D+01  0.567839D+01  0.199952D+01  0.671567D+00
      3   0.138480D+01  0.523743D+00  0.199952D+01  0.125430D+01  0.658790D+00
               206           207 
      1   0.671567D+00  0.658790D+00
      2   0.146063D+01  0.109817D+01
      3   0.109817D+01  0.141216D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.590362D+00 -0.743128D+00 -0.273178D+01 -0.150960D+01  0.863952D+00
      2  -0.104859D+01 -0.395348D+00  0.486649D+01  0.228288D+01  0.189312D+01
      3  -0.411463D+01 -0.118072D+02  0.112989D+01  0.779978D+01 -0.396036D+00
                 6             7             8             9            10 
      1  -0.285976D+00 -0.714228D+01  0.587635D+01 -0.217574D+01 -0.456319D+00
      2   0.473989D+01  0.109317D+01  0.998211D+01 -0.156951D+01  0.669396D+00
      3  -0.164051D+01 -0.124703D+01 -0.285340D+01 -0.374758D+01  0.326564D+01
                11            12            13            14            15 
      1  -0.279537D+00  0.134381D+01 -0.271834D+00  0.205458D+01  0.941030D+00
      2  -0.433223D-01  0.645936D+01  0.357296D+01 -0.818011D+00 -0.233625D+01
      3  -0.960693D+01  0.528120D+00  0.996719D+01 -0.400968D+00  0.224873D+01
                16            17            18            19            20 
      1   0.444733D+01  0.102023D+02 -0.132654D+01  0.551850D+00  0.973484D+00
      2   0.701003D+01 -0.563807D+01  0.267337D+01  0.263279D+01 -0.330504D+01
      3  -0.307182D+01  0.183426D+01  0.144135D+01  0.523568D+01 -0.680173D+01
                21            22            23            24            25 
      1   0.174907D+01  0.765099D-01 -0.314076D+00 -0.296483D+01  0.217248D+01
      2  -0.972097D+00 -0.162464D+01 -0.504550D-01  0.323812D+01 -0.130740D+02
      3   0.242429D+01  0.446863D+01 -0.692396D+01 -0.643066D+00  0.241458D+01
                26            27            28            29            30 
      1   0.854729D+00  0.146117D+01 -0.687262D+00 -0.170013D+00  0.109480D+01
      2   0.471541D+01 -0.417699D+01 -0.129238D+01  0.212786D+01 -0.246924D+01
      3  -0.233042D+01 -0.690954D+01 -0.798496D+00  0.993657D+01 -0.912743D+00
                31            32            33            34            35 
      1  -0.779578D+00  0.191653D+01 -0.169041D+00  0.214784D+01  0.880543D+01
      2   0.192844D+01 -0.831706D+00  0.294208D-01 -0.145589D+02  0.145600D+01
      3   0.117444D+02 -0.104046D+02 -0.160956D+01  0.108682D+01  0.281586D+01
                36            37            38            39            40 
      1  -0.104515D+01  0.132436D+01 -0.634981D+00 -0.583187D+00 -0.139112D+01
      2  -0.350928D+00  0.122303D+01  0.640206D+00 -0.161082D+01 -0.273019D+01
      3  -0.197419D+01 -0.572701D+01  0.576820D+01 -0.219747D+01  0.113148D+02
                41            42            43            44            45 
      1   0.454820D+00 -0.813518D+00 -0.339651D+01  0.759436D+01 -0.720574D+00
      2   0.283998D+01 -0.604751D+00 -0.134632D+02 -0.894825D+00 -0.135865D+01
      3   0.154851D+02  0.946077D+00 -0.428107D+00 -0.233186D+01  0.338347D+01
                46            47            48            49            50 
      1  -0.333749D-01  0.780079D+00 -0.697812D+00  0.120017D+01 -0.322075D+00
      2  -0.103965D+01 -0.173298D+01 -0.714392D-01 -0.198489D+01 -0.207574D+01
      3  -0.599463D+00 -0.122965D+02  0.150710D+01  0.107065D+01  0.438631D+01
                51            52            53            54            55 
      1  -0.242800D+01  0.189997D+01  0.125885D+01  0.281989D+00  0.604040D+00
      2  -0.453399D+01 -0.100355D+02 -0.837630D+01  0.345170D+01 -0.580614D+00
      3   0.121513D+01  0.153742D+01  0.114786D+01  0.685489D+01  0.319845D+01
                56            57            58            59            60 
      1  -0.311534D+01 -0.268129D+01 -0.208894D+01 -0.374374D+01  0.828176D+00
      2  -0.130206D+01  0.137389D+01 -0.311033D+01  0.469680D-01  0.654934D+01
      3  -0.115345D+01  0.182509D+01  0.131976D+02  0.620010D+01  0.676579D+01
                61            62            63            64            65 
      1  -0.680152D+01  0.970175D+01  0.606174D-01  0.294547D+01  0.181074D+01
      2  -0.113837D+02  0.946135D+01 -0.708158D-01  0.855113D+01 -0.164415D+01
      3   0.420360D+00  0.656640D+01 -0.491871D+01 -0.114071D+02 -0.758851D+01
                66            67            68            69            70 
      1   0.168760D+01 -0.197587D+00  0.230978D+01  0.121104D+01  0.226214D+01
      2   0.625985D+01 -0.257845D+01  0.145833D+01 -0.602458D+01 -0.263091D+01
      3  -0.349161D+01 -0.507689D+01  0.169589D+01 -0.473357D+01  0.985209D+00
                71            72            73            74            75 
      1   0.205222D+01 -0.259759D+01  0.600435D+00  0.773204D+00  0.585725D+00
      2  -0.100688D+02 -0.162755D+02  0.119320D+01 -0.112068D+01  0.595409D+01
      3  -0.327329D+01  0.753658D+01  0.138471D+02 -0.679512D+01  0.850486D+00
                76            77            78            79            80 
      1  -0.925292D+00  0.222510D+01 -0.758252D+01 -0.429100D+01  0.186256D+01
      2   0.287153D+00 -0.426809D+01 -0.306911D+00 -0.330592D+01  0.529096D+01
      3   0.317900D+01 -0.586509D+01  0.561021D+01 -0.292299D+01  0.764403D+01
                81            82            83            84            85 
      1   0.433119D+01 -0.724650D-01  0.454783D+00 -0.413414D+01  0.117057D+01
      2  -0.195471D+01 -0.215193D+01  0.526830D+00 -0.129939D+01  0.563794D+00
      3  -0.246903D+01 -0.550348D+01 -0.252827D+00 -0.898678D+00  0.836857D+01
                86            87            88            89            90 
      1   0.150908D+01  0.947919D+01  0.597079D+01  0.218295D+02  0.157581D+01
      2  -0.731757D-02 -0.572228D+00 -0.541039D+01 -0.476133D+01  0.179702D+00
      3  -0.335441D+01 -0.105787D+01 -0.179562D+01 -0.276116D+01  0.346171D+01
                91            92            93            94            95 
      1  -0.154200D+00 -0.402689D+00 -0.235251D+01  0.192088D+00 -0.156735D+00
      2   0.294931D+00  0.199910D+00  0.418688D+01 -0.821043D+00 -0.630341D+00
      3  -0.265055D+01 -0.598904D+01  0.754212D-01 -0.539836D+01 -0.941011D+01
                96            97            98            99           100 
      1  -0.234949D+01  0.998589D+00  0.996149D+00  0.116174D+00  0.204944D+00
      2   0.342542D+01 -0.127338D+01 -0.532880D+00 -0.201498D+00  0.174026D+01
      3   0.587728D+00  0.755260D+00  0.116650D+01 -0.263329D+00  0.260341D+01
               101           102           103           104           105 
      1   0.390770D+00  0.144456D+01 -0.757845D-01 -0.123310D+00 -0.783930D+00
      2  -0.406356D+00  0.615288D+01 -0.171801D+01  0.832206D+00 -0.219118D+01
      3  -0.584527D+01  0.260008D+00 -0.525110D+01  0.407199D+01 -0.693543D+00
               106           107           108           109           110 
      1  -0.633320D+00  0.541667D+00  0.164946D+00 -0.356687D+00 -0.502065D-01
      2  -0.170827D+01  0.266298D+00  0.610383D+00 -0.651882D+00  0.727929D+00
      3   0.130546D+01 -0.115416D+01  0.399111D+00 -0.431460D+01  0.392124D+01
               111           112           113           114           115 
      1   0.765949D+00  0.391575D+00 -0.100856D+01 -0.456127D+01 -0.294483D+00
      2  -0.202133D+00  0.992440D+00 -0.243139D+01  0.120758D+01 -0.144568D+01
      3  -0.678816D+00  0.613402D+01 -0.155746D+02  0.271796D+01 -0.131865D+01
               116           117           118           119           120 
      1   0.206793D+01  0.618799D+00  0.855673D-01 -0.404098D+00  0.985929D+00
      2   0.695106D+00 -0.254278D+00  0.420436D+00 -0.361963D+00  0.816214D+00
      3   0.339404D+01 -0.385734D+00  0.167609D+01 -0.723375D+00  0.264792D+00
               121           122           123           124           125 
      1  -0.221940D+00 -0.391967D+00 -0.459317D+01 -0.416737D-01  0.184985D+01
      2  -0.105956D+00  0.319372D+01 -0.286866D+01 -0.102399D+01 -0.288597D+00
      3   0.107676D+01  0.172192D+02 -0.285204D+01 -0.810666D-01 -0.310721D+01
               126           127           128           129           130 
      1   0.685693D+00  0.100103D+01  0.398191D+00  0.886620D+00 -0.659663D-01
      2   0.638291D+00  0.148331D+01  0.232600D+00  0.904319D+00  0.904815D+00
      3   0.152951D+00  0.211294D+01 -0.179910D+01 -0.162357D+01  0.136228D+01
               131           132           133           134           135 
      1   0.233445D-01 -0.379147D+01  0.202942D+01 -0.394125D+00  0.505042D+01
      2   0.278392D+01 -0.429866D+01 -0.666755D+00 -0.426504D+01  0.659731D+01
      3   0.530947D+01 -0.425229D+01 -0.199814D+01 -0.475673D+01  0.439100D+01
               136           137           138           139           140 
      1  -0.586432D+01  0.208962D+01  0.479678D+00  0.522835D+01 -0.537641D+00
      2  -0.667597D+01  0.108381D+02  0.580366D+01  0.977771D+01  0.336084D+01
      3   0.200952D+01 -0.169899D+02 -0.479779D+01 -0.911833D+01 -0.781636D+01
               141           142           143           144           145 
      1  -0.128803D+02  0.467551D+00 -0.732788D+01  0.545876D+01  0.117598D+00
      2  -0.431979D+01  0.208397D+01 -0.514575D+01  0.296246D+01  0.276812D+01
      3  -0.877276D+01 -0.271820D+01 -0.932801D+01  0.461566D+01  0.474543D+00
               146           147           148           149           150 
      1  -0.157492D+01 -0.123323D-01 -0.272671D+00  0.267932D+01  0.642063D+00
      2  -0.532652D+00 -0.299729D+01 -0.560250D+00  0.389852D+01  0.480432D+01
      3   0.171482D+01  0.661868D+00  0.260396D+01 -0.400272D+01 -0.386233D+01
               151           152           153           154           155 
      1  -0.286194D-01  0.485680D+01  0.650013D+00 -0.119778D+01  0.137760D+01
      2  -0.129884D+01  0.455291D+01  0.198286D+02 -0.797392D+01  0.829581D+00
      3   0.393687D+00 -0.472003D+01 -0.357227D+01  0.456921D+01 -0.686669D+01
               156           157           158           159           160 
      1   0.174035D+00  0.129442D+01 -0.113255D+01 -0.885108D+00 -0.350756D+00
      2   0.482516D+01  0.130391D+01 -0.114043D+01 -0.442256D+00  0.289310D+01
      3   0.637202D+00 -0.318579D+01  0.372011D+01  0.461993D+00  0.630426D+00
               161           162           163           164           165 
      1   0.442144D+00  0.394442D+00 -0.276993D+01  0.136112D+00 -0.349247D+00
      2   0.179238D+00  0.352625D+00 -0.207400D+00 -0.493098D+00  0.113504D+01
      3   0.127135D+01  0.472639D-01  0.154006D+01  0.169617D+01  0.325149D+01
               166           167           168           169           170 
      1  -0.157400D+01 -0.560464D+01 -0.729698D+01 -0.251085D+01 -0.907076D+01
      2  -0.377031D+00  0.122053D+01  0.126771D+01 -0.576295D+00  0.229232D+01
      3   0.341164D+01 -0.281805D+01 -0.124231D+01  0.704052D+01 -0.655934D+00
               171           172           173           174           175 
      1  -0.109191D+02  0.199789D+01 -0.280222D+00  0.720973D+00  0.102942D+01
      2   0.175799D+01 -0.123783D+00  0.465137D+00  0.253752D+00  0.678293D+00
      3  -0.192420D+01 -0.458564D+00 -0.645417D+00 -0.260243D+01  0.270415D+01
               176           177           178           179           180 
      1   0.489790D+01 -0.690295D+01 -0.175009D+01 -0.739676D+01  0.980283D+01
      2  -0.223713D+01  0.171244D+01 -0.153510D+01  0.262981D+01 -0.287846D+01
      3  -0.267669D+01  0.225538D+01 -0.478037D+01  0.273729D+01 -0.304963D+01
               181           182           183           184           185 
      1  -0.188318D+01 -0.211748D+00  0.762663D+00 -0.118552D+01 -0.728177D+01
      2  -0.102793D+01 -0.345926D+00  0.132868D-01  0.275495D+00 -0.242717D+01
      3  -0.161550D+01 -0.275383D+00  0.202143D+01 -0.788404D-01 -0.484544D+01
               186           187           188           189           190 
      1   0.623189D+01  0.210147D+01  0.661255D+01 -0.121823D+02  0.213563D+01
      2   0.538902D+01 -0.162881D+01  0.281102D+01 -0.968544D+01  0.730218D+01
      3   0.378237D+01  0.250801D+01  0.382895D+01 -0.493777D+01 -0.121919D+02
               191           192           193           194           195 
      1  -0.200282D+01  0.341384D+01 -0.212095D+01  0.171729D+01 -0.115702D+01
      2  -0.284391D+01  0.498595D+01 -0.311286D+01  0.109010D+01 -0.149083D+01
      3  -0.340321D-01  0.256297D+00  0.300858D+01  0.170723D+01  0.906594D+00
               196           197           198           199           200 
      1   0.225792D+01  0.250586D+00  0.499970D+00  0.131634D+01  0.685114D+00
      2   0.155918D+01 -0.589501D+00  0.124398D+01 -0.415090D+01 -0.401109D+01
      3  -0.698686D+00  0.501555D+00 -0.185369D+01  0.100147D+02  0.840237D+01
               201           202           203           204           205 
      1  -0.255296D+01  0.743853D+00  0.191581D+01 -0.233221D+01 -0.680514D+00
      2  -0.192405D+01 -0.384424D+01 -0.570044D+01 -0.237318D+01 -0.266576D+01
      3   0.345660D+01  0.974331D+01  0.135312D+02  0.522025D+01  0.198291D+01
               206           207 
      1   0.564880D+00 -0.213274D+01
      2  -0.260891D+01 -0.287804D+01
      3   0.436412D+01  0.372168D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.158473D+01 -0.177303D+02  0.282868D+01  0.268504D+02 -0.514819D+00
      2  -0.232619D+01  0.124296D+02  0.518224D+00 -0.260698D+02 -0.392257D+01
      3   0.391092D+01  0.530068D+01 -0.334691D+01 -0.780594D+00  0.443739D+01
      4  -0.195501D+02  0.145962D+02 -0.381382D+01 -0.211565D+01 -0.196800D+02
      5  -0.127045D+01 -0.217252D+01  0.102755D+02  0.664599D+01  0.604365D+01
      6  -0.228652D+01 -0.184550D+01  0.610316D+01  0.643578D+01  0.252696D+01
                 6             7             8             9            10 
      1   0.175147D+01 -0.827038D+01 -0.149063D+01  0.977391D+01 -0.787014D+01
      2  -0.246070D+01  0.952798D+01  0.342039D+01 -0.132965D+02  0.459907D+01
      3   0.709236D+00 -0.125760D+01 -0.192976D+01  0.352259D+01  0.327107D+01
      4   0.893214D+01  0.253465D+01  0.901625D+01  0.130579D+02  0.103623D+02
      5   0.979955D+01  0.273418D+02  0.152142D+02 -0.439189D+01 -0.613438D+01
      6   0.137175D+01  0.829124D+01  0.927513D+01  0.303615D+01 -0.732842D+00
                11            12            13            14            15 
      1   0.622013D+01 -0.570678D+01 -0.190957D+02 -0.197667D+02  0.568252D+01
      2  -0.309202D+01  0.242385D+01  0.176404D+02  0.184815D+02 -0.647072D+01
      3  -0.312810D+01  0.328294D+01  0.145526D+01  0.128518D+01  0.788199D+00
      4   0.218475D+02 -0.121147D+00 -0.182785D+02  0.168758D+02 -0.747262D+01
      5   0.901856D+00  0.136986D+02  0.957303D+01 -0.411318D+01 -0.501673D+01
      6   0.268032D-01 -0.306336D+01 -0.559914D+01 -0.207584D+01 -0.172983D+01
                16            17            18            19            20 
      1  -0.259404D+01  0.765104D+01  0.146991D+02  0.118807D+02 -0.878616D+00
      2  -0.223338D+01 -0.521637D+01 -0.185299D+02 -0.906194D+01 -0.265864D+01
      3   0.482742D+01 -0.243467D+01  0.383073D+01 -0.281881D+01  0.353725D+01
      4   0.116179D+02 -0.478149D+01 -0.467438D+01  0.906596D+01 -0.252653D+02
      5   0.338642D+02 -0.790988D+01  0.550397D+01  0.234206D+01  0.205011D+01
      6  -0.356495D+01  0.481684D+01  0.208123D+01  0.255439D+01 -0.613498D+00
                21            22            23            24            25 
      1   0.780938D+00  0.877630D+01  0.109277D+02 -0.493114D+01  0.184568D+01
      2  -0.978906D+00 -0.144450D+01 -0.171917D+02  0.691158D+01 -0.226970D+01
      3   0.197968D+00 -0.733180D+01  0.626407D+01 -0.198044D+01  0.424016D+00
      4   0.376226D+01  0.168442D+02  0.735021D+01  0.111185D+01 -0.149568D+01
      5  -0.384513D+01 -0.122884D+01  0.729212D+00  0.478016D+01  0.284480D+01
      6  -0.270718D+01 -0.152397D+01  0.103067D+02  0.496685D+01  0.103945D+01
                26            27            28            29            30 
      1  -0.432607D+01 -0.128160D+02 -0.330604D+02  0.125014D+02 -0.153091D+01
      2   0.992760D+01  0.253031D+00  0.193957D+02 -0.643692D+01 -0.463210D+00
      3  -0.560153D+01  0.125630D+02  0.136647D+02 -0.606445D+01  0.199412D+01
      4  -0.180349D+01  0.108198D+02 -0.105789D+02  0.914647D+01 -0.438336D+00
      5   0.981261D+01 -0.847763D+01 -0.298601D+01  0.113051D+01 -0.261619D+01
      6   0.141931D+02 -0.552741D+01  0.184401D+01 -0.240036D+00 -0.181585D+01
                31            32            33            34            35 
      1   0.110345D+02 -0.349726D+01  0.701637D+00 -0.661540D+01  0.225388D+01
      2  -0.282887D+01  0.640722D+01 -0.307106D+01 -0.715548D+00 -0.161393D+01
      3  -0.820559D+01 -0.290996D+01  0.236942D+01  0.733095D+01 -0.639947D+00
      4  -0.575238D+01  0.906012D+01 -0.177883D+01  0.395241D+01 -0.303258D+01
      5   0.180919D+01 -0.127443D+01 -0.760606D+00  0.107830D+01  0.409546D+00
      6  -0.645944D+01 -0.269089D+01  0.154548D+01 -0.939767D+00  0.669983D+01
                36            37            38            39            40 
      1  -0.121142D+02 -0.180220D+02 -0.269812D+02  0.254933D+01 -0.148699D+02
      2  -0.254561D+00  0.153281D+02  0.210894D+02  0.429966D+00  0.388995D+01
      3   0.123688D+02  0.269389D+01  0.589180D+01 -0.297930D+01  0.109800D+02
      4  -0.193558D+01 -0.549738D+01  0.256695D+01 -0.144621D+01  0.682280D+00
      5  -0.443726D+00  0.239637D+01  0.500391D+00 -0.152542D+01  0.556656D+00
      6   0.180184D+01 -0.286329D+01 -0.181624D+00  0.948123D+00  0.794965D+01
                41            42            43            44            45 
      1  -0.935481D+01 -0.452204D+00  0.216141D+01 -0.192391D+01 -0.140707D+02
      2   0.985440D+01 -0.946301D+00  0.218617D+01  0.168218D+01  0.290739D+01
      3  -0.499598D+00  0.139851D+01 -0.434758D+01  0.241724D+00  0.111633D+02
      4  -0.929388D+01  0.301792D+01  0.125037D+00  0.293184D+01 -0.207631D+01
      5   0.323052D+01  0.315681D-01  0.166436D+01 -0.277068D+01 -0.942033D+00
      6   0.433931D-01  0.166675D+01 -0.693445D+00  0.950526D+01  0.133127D+01
                46            47            48            49            50 
      1   0.132976D+02  0.187521D+02 -0.330946D+00 -0.190476D+02  0.139028D+02
      2  -0.137974D+02 -0.137803D+02  0.303288D+00  0.152169D+02 -0.206167D+02
      3   0.499819D+00 -0.497185D+01  0.276578D-01  0.383072D+01  0.671393D+01
      4   0.582217D+01 -0.203555D+02  0.527634D+01  0.109223D+02 -0.981148D+00
      5  -0.279170D+01  0.308746D+01 -0.238450D+01 -0.369410D+00 -0.427576D+01
      6   0.528497D+01 -0.144632D+01  0.497160D+00 -0.231006D+01  0.980752D+01
                51            52            53            54            55 
      1  -0.392950D+01  0.281900D+01 -0.222687D+01 -0.608437D+01  0.200661D+02
      2   0.606503D+01 -0.424278D+01  0.878602D+01 -0.341413D+01 -0.992180D+01
      3  -0.213553D+01  0.142378D+01 -0.655916D+01  0.949850D+01 -0.101443D+02
      4  -0.405872D+01  0.159143D+01 -0.820949D+01 -0.138799D+02 -0.392852D+01
      5  -0.830092D+01  0.784533D+01 -0.143079D+02  0.655201D+01  0.217859D+01
      6   0.441542D+01 -0.471197D+01  0.132038D+02 -0.226404D+01 -0.292010D+01
                56            57            58            59            60 
      1  -0.136310D+02 -0.368669D+01 -0.184356D+02  0.363468D+01 -0.901975D+01
      2   0.103130D+02  0.411098D+01  0.125397D+02  0.120784D+01  0.653192D+01
      3   0.331800D+01 -0.424291D+00  0.589586D+01 -0.484252D+01  0.248784D+01
      4  -0.672810D+01 -0.453056D+01 -0.131418D+02  0.695847D+01 -0.463504D+01
      5  -0.628761D+01 -0.619744D+01 -0.758835D+01 -0.636069D+01  0.131724D+02
      6   0.376712D+01  0.398382D+01  0.736806D+00  0.767359D+01 -0.160402D+02
                61            62            63            64            65 
      1  -0.905933D+00 -0.756088D+01  0.110518D+02 -0.471240D+02  0.136660D+02
      2   0.447758D+01  0.176564D+01 -0.100489D+02  0.244392D+02 -0.940077D+01
      3  -0.357165D+01  0.579523D+01 -0.100287D+01  0.226847D+02 -0.426521D+01
      4  -0.108195D+02  0.182697D+01  0.189274D+02  0.149843D+02  0.337348D+01
      5  -0.140765D+02  0.177775D+02 -0.230354D+01 -0.746620D+01  0.638006D+01
      6   0.146792D+02 -0.211568D+02  0.957730D+01  0.267509D+01  0.115588D+01
                66            67            68            69            70 
      1  -0.442765D+01  0.197909D+02  0.811529D+01  0.792107D+01  0.578020D+00
      2  -0.161966D+01 -0.121623D+02 -0.108317D+02 -0.206411D-01  0.121959D+01
      3   0.604731D+01 -0.762860D+01  0.271642D+01 -0.790043D+01 -0.179761D+01
      4   0.424086D+01 -0.694594D+00  0.112157D+01  0.540841D+01  0.536653D+01
      5   0.614962D+01  0.995724D+01  0.709686D+01 -0.455602D+01 -0.154409D+01
      6   0.713126D+00  0.189470D+01 -0.677026D+00 -0.414265D+01 -0.226514D+01
                71            72            73            74            75 
      1   0.332764D+01  0.142134D+02  0.310712D+02  0.802421D+01 -0.312152D+00
      2   0.863993D+01  0.131369D+02 -0.177176D+02 -0.556878D+01 -0.893205D+00
      3  -0.119676D+02 -0.273503D+02 -0.133535D+02 -0.245544D+01  0.120536D+01
      4   0.412240D+00 -0.128982D+02  0.128671D+02  0.113973D+02 -0.462996D+01
      5  -0.125498D+02 -0.242819D+02 -0.483495D+01 -0.300615D+01  0.951732D+01
      6  -0.207057D+01 -0.105555D+02 -0.114432D+01 -0.553264D+01 -0.364099D+01
                76            77            78            79            80 
      1  -0.772909D+01 -0.621018D+01  0.995622D+00 -0.603620D+01 -0.488700D+00
      2   0.881498D+01  0.149251D+02  0.104382D+01  0.471045D+01 -0.397851D+01
      3  -0.108590D+01 -0.871491D+01 -0.203944D+01  0.132575D+01  0.446721D+01
      4   0.124331D+02  0.106987D+02 -0.650824D+01 -0.577676D+01 -0.631617D+01
      5  -0.415457D+01 -0.624413D+01 -0.188709D+01  0.103748D+02  0.757040D+01
      6  -0.286189D+00 -0.218499D+01  0.104968D+02  0.384575D+01  0.967460D+01
                81            82            83            84            85 
      1  -0.607286D+01 -0.114986D+02 -0.405524D+01 -0.415201D+00  0.186207D+02
      2  -0.340364D+01  0.891747D+01  0.655142D+01  0.179100D+01 -0.164564D+02
      3   0.947650D+01  0.258114D+01 -0.249618D+01 -0.137580D+01 -0.216431D+01
      4   0.915776D+01  0.157800D+01 -0.196701D+01  0.147818D+01 -0.585434D+00
      5  -0.413003D+01 -0.148923D+01  0.724152D+00 -0.590584D+01 -0.186483D+01
      6  -0.262667D+01 -0.730689D+00  0.827118D+00  0.889591D+01 -0.319830D+01
                86            87            88            89            90 
      1   0.379446D+02  0.851935D+00  0.529597D+01  0.504329D+01  0.293767D+02
      2  -0.363188D+02 -0.199312D+01 -0.556410D+01 -0.773035D+01 -0.282334D+02
      3  -0.162581D+01  0.114118D+01  0.268128D+00  0.268706D+01 -0.114329D+01
      4  -0.610272D+01 -0.191256D+01 -0.237726D+01 -0.362050D+01 -0.758216D+01
      5  -0.266889D+01 -0.436285D+01 -0.270959D+01 -0.947729D+01 -0.123314D+01
      6  -0.343099D+01 -0.266894D+02 -0.713547D+01 -0.408780D+02 -0.350053D+01
                91            92            93            94            95 
      1   0.481300D+02  0.233848D+02 -0.231491D+01  0.201318D+02  0.143329D+02
      2  -0.191054D+02 -0.621087D+01  0.126346D+01 -0.145777D+01  0.368979D+01
      3  -0.290246D+02 -0.171739D+02  0.105145D+01 -0.186741D+02 -0.180227D+02
      4   0.446728D+02  0.314921D+02 -0.222163D+01  0.381660D+02  0.375178D+02
      5  -0.529833D+01 -0.264226D+01  0.792230D+01 -0.489214D+01 -0.410193D+01
      6  -0.871097D+00 -0.667174D+00  0.336439D+01 -0.202516D+01 -0.180372D+01
                96            97            98            99           100 
      1  -0.168520D+01 -0.112990D+01 -0.776976D+00  0.131400D+01  0.931550D+02
      2   0.835763D+00 -0.251791D+00 -0.529989D+00  0.165260D+00 -0.513887D+02
      3   0.849439D+00  0.138169D+01  0.130696D+01 -0.147926D+01 -0.417664D+02
      4  -0.328261D+01 -0.399064D+01 -0.360604D+01  0.374862D+01 -0.313483D+02
      5   0.574401D+01  0.327017D+01  0.240703D+01 -0.926526D+00  0.115293D+02
      6   0.431806D+01  0.182400D+01  0.238560D+01 -0.998560D+00 -0.338531D+00
               101           102           103           104           105 
      1  -0.207948D+02  0.802286D+01 -0.191650D+02  0.137803D+02 -0.290091D+01
      2   0.102253D+02 -0.542076D+01  0.810417D+01 -0.542959D+01  0.193962D+01
      3   0.105695D+02 -0.260211D+01  0.110608D+02 -0.835073D+01  0.961293D+00
      4   0.157556D+02 -0.271916D+01  0.228865D+02 -0.127797D+02  0.263237D+01
      5  -0.251456D+01  0.112857D+02 -0.499901D+01  0.271808D+01 -0.355349D+01
      6   0.584677D+00 -0.187401D+01  0.147238D+01 -0.726286D+00  0.212503D+01
               106           107           108           109           110 
      1   0.955891D+01 -0.305129D+01  0.417507D+01 -0.418645D+01  0.643662D+01
      2  -0.540826D+01  0.150204D+01 -0.242019D+01  0.561545D+01 -0.568665D+01
      3  -0.415066D+01  0.154926D+01 -0.175488D+01 -0.142901D+01 -0.749975D+00
      4  -0.577474D+01  0.290098D+01 -0.284688D+01  0.112748D+01  0.670051D+01
      5   0.497956D+01 -0.169598D+01  0.251674D+01 -0.419475D+00 -0.627954D+00
      6  -0.111917D+01  0.126862D+01 -0.864695D+00 -0.161524D+01  0.200051D+01
               111           112           113           114           115 
      1  -0.177987D+01  0.371445D+01 -0.369481D+02  0.703131D+01 -0.120487D+01
      2   0.114568D+01 -0.314615D+01  0.513380D+02 -0.699522D+01  0.130580D+01
      3   0.634191D+00 -0.568300D+00 -0.143899D+02 -0.360916D-01 -0.100930D+00
      4  -0.772285D+00  0.558405D+01  0.191206D+02 -0.386541D+01 -0.858158D+00
      5   0.990917D+00 -0.894149D+00 -0.458090D+01  0.267259D+01  0.722846D+00
      6  -0.112000D+01  0.202472D+00 -0.132685D+02  0.920508D+01 -0.241642D+00
               116           117           118           119           120 
      1   0.743356D+01 -0.354081D+01  0.147561D+01 -0.330035D+01  0.578368D+00
      2  -0.877571D+01  0.388745D+01  0.338795D+01 -0.250835D+01  0.128384D+00
      3   0.134215D+01 -0.346630D+00 -0.486356D+01  0.580870D+01 -0.706752D+00
      4  -0.301552D+01 -0.149258D-01 -0.110905D+02  0.155270D+02 -0.302036D+01
      5   0.630290D+00 -0.383031D+00  0.203682D+01 -0.275431D+01  0.276698D+01
      6   0.550185D+01 -0.342590D+01 -0.186509D+01  0.208113D+01 -0.177284D+01
               121           122           123           124           125 
      1   0.115083D+01 -0.244668D+02  0.417460D+01  0.156667D+00  0.404244D+01
      2  -0.789223D+01  0.442430D+02 -0.501762D+01  0.911689D+00 -0.653315D+01
      3   0.674140D+01 -0.197762D+02  0.843022D+00 -0.106836D+01  0.249071D+01
      4   0.171057D+02 -0.429800D+02  0.714823D+01 -0.369249D+01  0.847595D+01
      5  -0.268952D+01  0.645909D+01 -0.532189D+01  0.150520D+01 -0.226380D+01
      6   0.271772D+01 -0.106926D+02  0.880690D+01 -0.156773D+01  0.562846D+01
               126           127           128           129           130 
      1  -0.300688D+01 -0.163057D+00 -0.109325D+01  0.282383D+01  0.381925D+01
      2   0.371149D+01 -0.164693D-01  0.101427D+00 -0.192377D+01 -0.393602D+01
      3  -0.704604D+00  0.179526D+00  0.991823D+00 -0.900062D+00  0.116770D+00
      4  -0.268013D+01 -0.394396D+01  0.671294D+01 -0.365488D+01  0.979034D+01
      5   0.176606D+01  0.477459D+01 -0.265158D+01  0.680773D+01 -0.317951D+01
      6  -0.329512D+01 -0.577184D+01  0.996218D+00 -0.184633D+01  0.394400D+01
               131           132           133           134           135 
      1  -0.138988D+02  0.968909D+01 -0.585158D+00  0.104695D+02 -0.154205D+02
      2   0.140240D+02 -0.735615D+01 -0.887723D+00 -0.485416D+01  0.653997D+00
      3  -0.125185D+00 -0.233295D+01  0.147288D+01 -0.561531D+01  0.147665D+02
      4  -0.142338D+02  0.728526D+01 -0.515621D+01  0.829706D+01 -0.983317D+01
      5   0.767598D+01 -0.910382D+01  0.938631D+01 -0.101432D+02  0.154275D+02
      6  -0.164677D+02  0.171950D+02 -0.709692D+01  0.178238D+02 -0.229681D+02
               136           137           138           139           140 
      1  -0.201226D+02  0.294956D+02  0.693568D+01  0.279469D+02  0.731753D+01
      2  -0.730618D+01 -0.175193D+02 -0.872235D+01 -0.144566D+02 -0.945711D+01
      3   0.274288D+02 -0.119763D+02  0.178667D+01 -0.134903D+02  0.213958D+01
      4   0.371592D+02 -0.155687D+02  0.503505D+01 -0.899502D+01 -0.233853D+01
      5   0.409172D+01 -0.467371D-01  0.429571D+01  0.272644D+01  0.712055D+00
      6  -0.330834D+01 -0.104422D+02 -0.621476D+01 -0.959282D+01 -0.632673D+01
               141           142           143           144           145 
      1   0.350775D+01  0.535385D+01  0.386183D+01 -0.250462D+01  0.278292D+01
      2  -0.173504D+02 -0.892299D+01 -0.125046D+02  0.138023D+02 -0.433661D+01
      3   0.138427D+02  0.356914D+01  0.864274D+01 -0.112977D+02  0.155370D+01
      4  -0.420440D+00  0.163962D+02 -0.732466D+01 -0.181693D+02  0.473637D+00
      5  -0.153828D+02  0.973562D+01 -0.181077D+02  0.154516D+01  0.444837D+01
      6   0.610173D+01 -0.131103D+02  0.105897D+02  0.516463D+01  0.146825D+01
               146           147           148           149           150 
      1   0.112689D+01  0.790438D+01  0.345925D+00 -0.639504D+01 -0.571264D+01
      2   0.698803D-01 -0.529542D+00 -0.104376D+01  0.125290D+01 -0.186479D+01
      3  -0.119677D+01 -0.737484D+01  0.697839D+00  0.514214D+01  0.757743D+01
      4  -0.872322D+00  0.624946D+00  0.307694D+01  0.629812D+01  0.716725D+01
      5   0.255638D+00  0.133705D+01  0.298166D+01  0.626736D+01  0.870481D+01
      6  -0.835363D+00 -0.122850D+01  0.130710D+01  0.646243D+01  0.106778D+02
               151           152           153           154           155 
      1   0.407328D+01 -0.431252D+01 -0.176242D+02  0.771020D+02 -0.859115D+01
      2  -0.671840D+01 -0.296628D+01 -0.215037D+02 -0.432270D+02  0.482119D+01
      3   0.264512D+01  0.727880D+01  0.391279D+02 -0.338749D+02  0.376996D+01
      4   0.263805D+01  0.751061D+01  0.873015D+01 -0.837641D+01  0.999466D+01
      5   0.120672D+02  0.807549D+01  0.348128D+02  0.170205D+02 -0.231357D+01
      6   0.213403D+01  0.740324D+01  0.125074D+02 -0.147438D+01  0.128218D+01
               156           157           158           159           160 
      1   0.554546D+01 -0.137679D+02  0.822398D+01 -0.211121D+01 -0.131828D+01
      2  -0.512795D+01  0.774559D+01 -0.320230D+01  0.926232D+00 -0.124427D+01
      3  -0.417509D+00  0.602235D+01 -0.502167D+01  0.118498D+01  0.256255D+01
      4  -0.760329D+00  0.128297D+02 -0.598657D+01  0.467036D+00 -0.569372D+00
      5   0.102480D+02 -0.451227D+01  0.140148D+01 -0.174029D+01  0.116019D+02
      6  -0.491245D+00  0.225087D+01 -0.131306D+01  0.216874D+01 -0.760532D+00
               161           162           163           164           165 
      1  -0.324267D+00  0.642199D+01 -0.102167D+01  0.308301D+01  0.144084D+01
      2  -0.635013D+00 -0.600492D+01  0.225636D+01 -0.274827D+01 -0.145898D+01
      3   0.959280D+00 -0.417068D+00 -0.123469D+01 -0.334736D+00  0.181387D-01
      4  -0.888986D+00 -0.491765D+00  0.282748D+01  0.759827D+01  0.483731D+01
      5  -0.866305D+00  0.361276D+01  0.195806D+01  0.291260D+01  0.464526D+01
      6   0.129969D+01  0.318586D+00  0.695959D+01  0.338507D+00  0.475415D+00
               166           167           168           169           170 
      1  -0.413910D+01 -0.306557D+02 -0.114897D+02 -0.242742D+01 -0.232077D+02
      2   0.593041D+01  0.389868D+02  0.139331D+02  0.296556D+01  0.246490D+02
      3  -0.179130D+01 -0.833109D+01 -0.244342D+01 -0.538144D+00 -0.144127D+01
      4   0.652332D+01  0.102382D+02  0.399318D+01  0.796152D+01  0.756128D+01
      5   0.236567D+01  0.408897D+01  0.323806D+01  0.508134D+01  0.688263D+01
      6   0.351860D+01  0.213972D+02  0.172749D+02  0.633324D+01  0.303644D+02
               171           172           173           174           175 
      1  -0.207745D+02 -0.412858D+00  0.358462D+01 -0.297239D+01 -0.382002D+01
      2   0.159135D+02  0.793023D+00 -0.369500D+01  0.185040D+01  0.464209D+01
      3   0.486102D+01 -0.380165D+00  0.110378D+00  0.112198D+01 -0.822073D+00
      4   0.575379D+01  0.970999D+00  0.644846D+01 -0.458103D+01  0.528722D+01
      5   0.589051D+01 -0.126629D+01 -0.254204D+01  0.343875D+01 -0.168413D+01
      6   0.253543D+02 -0.577664D+01  0.179563D+01 -0.163619D+01 -0.220132D+01
               176           177           178           179           180 
      1  -0.269081D+02  0.124770D+02  0.900927D+00  0.191284D+02 -0.206392D+02
      2   0.327323D+02 -0.137050D+02 -0.110304D+01 -0.183361D+02  0.137311D+02
      3  -0.582424D+01  0.122799D+01  0.202112D+00 -0.792257D+00  0.690801D+01
      4   0.742843D+01 -0.311195D+01 -0.592090D+01 -0.504454D+01  0.452719D+01
      5  -0.389926D+01  0.347713D+01  0.382102D+01  0.607894D+01 -0.528881D+01
      6  -0.198125D+02  0.177395D+02  0.457649D+01  0.263616D+02 -0.237566D+02
               181           182           183           184           185 
      1   0.369015D+01 -0.149574D+01 -0.455534D+01  0.975085D+00 -0.650023D+00
      2  -0.408000D+01  0.641770D+00  0.407179D+01 -0.220605D+01 -0.599873D+01
      3   0.389851D+00  0.853965D+00  0.483552D+00  0.123096D+01  0.664875D+01
      4  -0.225294D+01  0.185131D+01  0.626126D+00 -0.107987D+00  0.851594D+01
      5  -0.513845D+01 -0.161755D+01  0.525033D+01 -0.560367D+01 -0.371984D+01
      6   0.956457D+00  0.116044D+01  0.509314D+00  0.156426D+01 -0.292182D+01
               186           187           188           189           190 
      1   0.173732D+01 -0.381999D+01 -0.477312D+00 -0.794612D+01  0.448953D+02
      2   0.115868D+02  0.634264D+01  0.907130D+01 -0.199446D+02 -0.101846D+02
      3  -0.133242D+02 -0.252265D+01 -0.859399D+01  0.278907D+02 -0.347106D+02
      4  -0.373040D+01  0.409170D+00 -0.451016D+01  0.582252D+01 -0.507367D+02
      5   0.116571D+02  0.840051D+01  0.535156D+01 -0.204617D+02 -0.138692D+02
      6  -0.157281D+01 -0.119256D+01  0.251302D+01  0.740351D+01  0.519489D+01
               191           192           193           194           195 
      1  -0.141813D+02 -0.372159D-01 -0.992538D+01  0.342572D+01 -0.924400D+00
      2  -0.320755D+01  0.189433D+01 -0.522207D+01  0.955167D+01  0.139199D+01
      3   0.173888D+02 -0.185711D+01  0.151475D+02 -0.129774D+02 -0.467590D+00
      4   0.304551D+02  0.276959D+01  0.264247D+02 -0.225536D+02 -0.131945D+01
      5   0.634507D+01  0.949836D+01  0.420863D+01 -0.359414D+01 -0.231758D+01
      6  -0.380106D+01 -0.622179D+01 -0.235818D+01  0.405432D+01  0.349096D+01
               196           197           198           199           200 
      1   0.402657D+01 -0.114799D+01  0.443646D+01 -0.771698D+01 -0.166444D+02
      2   0.163237D+01 -0.106064D+01 -0.257980D+01  0.103561D+02  0.178214D+02
      3  -0.565894D+01  0.220863D+01 -0.185666D+01 -0.263911D+01 -0.117696D+01
      4  -0.599494D+01  0.390912D+01 -0.476545D+01  0.306568D+01  0.335970D+01
      5   0.780251D+01 -0.227750D+01 -0.109048D+00  0.289904D+01  0.981848D+00
      6  -0.502384D+01  0.302134D+01 -0.111448D+01  0.476127D+01  0.958919D+01
               201           202           203           204           205 
      1  -0.772606D+01 -0.116108D+02 -0.277169D+02 -0.107599D+02 -0.366985D+01
      2   0.539984D+01  0.106964D+02  0.370303D+02  0.108762D+02  0.247501D+01
      3   0.232622D+01  0.914402D+00 -0.931344D+01 -0.116376D+00  0.119484D+01
      4   0.151900D+00  0.718702D+01 -0.658050D+01 -0.235669D+01 -0.166199D+00
      5  -0.764930D+00  0.283589D+01 -0.159009D+01 -0.973285D+00  0.101454D+01
      6   0.814263D+01  0.427094D+01  0.182135D+02  0.114968D+02  0.437350D+01
               206           207 
      1  -0.929165D+01 -0.943978D+01
      2   0.789547D+01  0.487929D+01
      3   0.139618D+01  0.456049D+01
      4  -0.688673D+00  0.130304D+01
      5  -0.166597D+00 -0.154390D+01
      6   0.106424D+02  0.841423D+01
 Leave Link  716 at Fri Jul 23 15:51:40 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146072D+03 -0.232649D+01  0.271070D+01
      2  -0.232649D+01  0.128067D+03 -0.390715D+01
      3   0.271070D+01 -0.390715D+01  0.848886D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.228344D+01 -0.509652D+01 -0.113393D+02
      2   0.716579D+01 -0.123624D+02 -0.586967D+01
      3   0.610449D+01 -0.478972D+02  0.935141D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.137793D+03  0.138860D+02  0.293229D+01
      2  -0.697793D+02  0.697257D+01  0.937275D+01
      3  -0.680141D+02 -0.208586D+02 -0.123050D+02
      4   0.509297D+02  0.663349D+02 -0.278162D+02
      5   0.257960D+01 -0.288979D+02 -0.188886D+02
      6  -0.128980D+02  0.816381D+01  0.148100D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.206476D+01  0.156752D+01 -0.269609D+00  0.349772D+01 -0.112160D+01
      2   0.156752D+01  0.157864D+01 -0.468746D+00 -0.112160D+01  0.229367D+01
      3  -0.269609D+00 -0.468746D+00  0.195077D+01  0.861761D+00  0.835955D+00
                 6             7             8             9            10 
      1   0.861761D+00 -0.120111D+01  0.756446D+00  0.383682D+01  0.457091D+01
      2   0.835955D+00  0.756446D+00  0.642266D+00  0.262940D+01 -0.896405D+00
      3   0.145409D+01  0.383682D+01  0.262940D+01 -0.387542D+00 -0.438616D+00
                11            12            13            14            15 
      1  -0.896405D+00 -0.438616D+00 -0.152272D+01 -0.108347D+01  0.103445D+01
      2   0.230256D+01 -0.926895D-01 -0.108347D+01 -0.249850D+01 -0.693962D+00
      3  -0.926895D-01  0.215007D+01  0.103445D+01 -0.693962D+00 -0.629043D+00
                16            17            18            19            20 
      1  -0.161120D-01  0.117224D+01  0.471210D+01  0.796177D-01 -0.444554D+01
      2   0.117224D+01  0.146807D+00 -0.122793D+01 -0.444554D+01  0.243228D+00
      3   0.471210D+01 -0.122793D+01  0.101216D+01  0.211573D+00 -0.152509D+00
                21            22            23            24            25 
      1   0.211573D+00  0.421339D+01 -0.966169D+00 -0.935103D-01 -0.565769D+00
      2  -0.152509D+00 -0.966169D+00  0.152097D+01  0.955941D+00 -0.871101D+00
      3  -0.444489D+00 -0.935103D-01  0.955941D+00  0.166264D+01  0.129027D+00
                26            27            28            29            30 
      1  -0.871101D+00  0.129027D+00 -0.110181D+02  0.530051D+01 -0.270070D+00
      2   0.118301D+01  0.321902D+01  0.530051D+01 -0.539495D+01  0.149980D+00
      3   0.321902D+01 -0.224270D+01 -0.270070D+00  0.149980D+00 -0.157651D+01
                31            32            33            34            35 
      1   0.898438D+01  0.138508D+01 -0.610509D+00 -0.208702D+01 -0.816912D+00
      2   0.138508D+01  0.226385D+01 -0.302827D+00 -0.816912D+00 -0.267624D+00
      3  -0.610509D+00 -0.302827D+00  0.459429D+00 -0.291311D+01  0.177082D+01
                36            37            38            39            40 
      1  -0.291311D+01 -0.129737D+01 -0.410318D+01  0.477505D+00 -0.119980D+02
      2   0.177082D+01 -0.410318D+01 -0.623768D+01  0.285399D+00 -0.230160D+01
      3  -0.689324D+00  0.477505D+00  0.285399D+00 -0.117289D+01 -0.387455D+00
                41            42            43            44            45 
      1  -0.230160D+01 -0.387455D+00  0.289017D+01 -0.124066D+00 -0.187189D+01
      2  -0.514151D+01 -0.143196D+00 -0.124066D+00 -0.362610D+00 -0.266740D+01
      3  -0.143196D+00 -0.926590D+00 -0.187189D+01 -0.266740D+01  0.406073D+00
                46            47            48            49            50 
      1  -0.283909D+01  0.322372D+01 -0.263972D+00 -0.371693D+01  0.235568D+00
      2   0.322372D+01  0.256732D+01  0.457863D+00  0.235568D+00 -0.825803D+00
      3  -0.263972D+00  0.457863D+00 -0.116648D+00  0.685258D-01 -0.849691D+00
                51            52            53            54            55 
      1   0.685258D-01  0.287611D+00  0.529126D+00  0.128589D+01  0.157028D+01
      2  -0.849691D+00  0.529126D+00 -0.136480D+01 -0.318161D+01 -0.582612D+00
      3  -0.170698D+01  0.128589D+01 -0.318161D+01  0.191802D+01 -0.271472D+00
                56            57            58            59            60 
      1  -0.582612D+00 -0.271472D+00 -0.203950D+01  0.433237D+01  0.132447D+01
      2   0.299097D+01  0.155427D+01  0.433237D+01 -0.157798D+01  0.190130D+01
      3   0.155427D+01  0.165359D+01  0.132447D+01  0.190130D+01 -0.384686D+01
                61            62            63            64            65 
      1  -0.195486D+01  0.197971D+01  0.343597D+01  0.689796D+01 -0.262650D+01
      2   0.197971D+01  0.718851D+00 -0.487494D+01 -0.262650D+01 -0.156635D+01
      3   0.343597D+01 -0.487494D+01  0.132946D+01 -0.276263D-01 -0.101314D+01
                66            67            68            69            70 
      1  -0.276263D-01 -0.408210D+01 -0.101972D+01 -0.990651D+00 -0.222019D+00
      2  -0.101314D+01 -0.101972D+01  0.250060D-01 -0.131253D+01 -0.374894D+00
      3  -0.191057D+01 -0.990651D+00 -0.131253D+01  0.156472D+01 -0.111296D+00
                71            72            73            74            75 
      1  -0.374894D+00 -0.111296D+00 -0.607557D+01 -0.523533D+00  0.995183D+00
      2  -0.894800D+00  0.335996D+01 -0.523533D+00  0.902064D+00  0.788138D+00
      3   0.335996D+01  0.604232D+01  0.995183D+00  0.788138D+00  0.167263D+00
                76            77            78            79            80 
      1   0.648117D+00 -0.161980D+01  0.468874D+00  0.119705D+01 -0.709005D-01
      2  -0.161980D+01 -0.300036D+01  0.134824D+01 -0.709005D-01  0.147040D+01
      3   0.468874D+00  0.134824D+01 -0.395954D-01 -0.122142D+01 -0.197179D+01
                81            82            83            84            85 
      1  -0.122142D+01  0.245545D+01 -0.431955D-01  0.710326D-01  0.127171D+01
      2  -0.197179D+01 -0.431955D-01 -0.997298D+00 -0.206679D+00  0.342252D+01
      3   0.548277D+00  0.710326D-01 -0.206679D+00 -0.908380D+00  0.403972D+00
                86            87            88            89            90 
      1   0.342252D+01  0.403972D+00  0.325988D+00  0.998683D+00  0.121489D+01
      2   0.829161D+01  0.497180D+00  0.998683D+00  0.176606D+01  0.634539D+01
      3   0.497180D+00  0.375145D+01  0.121489D+01  0.634539D+01  0.641645D+00
                91            92            93            94            95 
      1   0.785007D+01  0.438343D+01 -0.392683D+00  0.450860D+01  0.421261D+01
      2   0.438343D+01  0.311953D+01 -0.218699D+00  0.421261D+01  0.454401D+01
      3  -0.392683D+00 -0.218699D+00  0.786590D+00 -0.514136D+00 -0.414856D+00
                96            97            98            99           100 
      1  -0.514136D+00 -0.374233D+00 -0.432255D+00  0.193321D+00  0.121837D+02
      2  -0.414856D+00 -0.432255D+00 -0.622840D+00  0.222689D+00 -0.292058D+01
      3   0.705412D+00  0.193321D+00  0.222689D+00 -0.131415D+00  0.120814D+01
               101           102           103           104           105 
      1  -0.292058D+01  0.120814D+01 -0.293106D+01  0.238934D+01 -0.595753D+00
      2   0.144613D+01 -0.283082D+00  0.238934D+01 -0.142221D+01  0.313695D+00
      3  -0.283082D+00  0.106813D+01 -0.595753D+00  0.313695D+00 -0.396587D+00
               106           107           108           109           110 
      1   0.148594D+01 -0.609984D+00  0.318936D+00 -0.455288D+00  0.137038D+01
      2  -0.609984D+00  0.420460D+00 -0.181743D+00  0.137038D+01 -0.919010D+00
      3   0.318936D+00 -0.181743D+00  0.240425D+00 -0.223966D+00  0.280826D+00
               111           112           113           114           115 
      1  -0.223966D+00  0.113267D+01 -0.506100D+00  0.292758D-01 -0.226260D+00
      2   0.280826D+00 -0.506100D+00  0.970992D+01 -0.170342D+01  0.280464D+00
      3  -0.161240D+00  0.292758D-01 -0.170342D+01  0.123562D+01  0.488841D-01
               116           117           118           119           120 
      1   0.280464D+00  0.488841D-01  0.114667D+01 -0.174941D+01  0.380885D+00
      2  -0.188847D+01  0.532669D+00 -0.174941D+01  0.171348D+01 -0.385272D+00
      3   0.532669D+00 -0.352886D+00  0.380885D+00 -0.385272D+00  0.329709D+00
               121           122           123           124           125 
      1  -0.167300D+01  0.246202D+01 -0.451057D+00  0.274204D+00 -0.553460D+00
      2   0.246202D+01 -0.100979D+02  0.168286D+01 -0.553460D+00  0.189021D+01
      3  -0.451057D+00  0.168286D+01 -0.124090D+01  0.251561D+00 -0.573919D+00
               126           127           128           129           130 
      1   0.251561D+00 -0.269523D+00  0.922331D+00 -0.119793D+01  0.206629D+01
      2  -0.573919D+00  0.922331D+00 -0.571362D+00  0.894566D-01 -0.190588D+01
      3   0.374411D+00 -0.119793D+01  0.894566D-01 -0.618453D+00  0.477120D+00
               131           132           133           134           135 
      1  -0.190588D+01  0.477120D+00 -0.166348D+01  0.788309D+00 -0.156132D+01
      2   0.437519D+01 -0.256591D+01  0.788309D+00 -0.268534D+01  0.324100D+01
      3  -0.256591D+01  0.291167D+01 -0.156132D+01  0.324100D+01 -0.518973D+01
               136           137           138           139           140 
      1   0.577346D+01 -0.474805D+01  0.157415D+00 -0.254812D+01 -0.187536D+01
      2  -0.474805D+01 -0.105783D+01 -0.211113D+01 -0.187536D+01 -0.111134D+01
      3   0.157415D+00 -0.211113D+01 -0.125562D+01 -0.225306D+01 -0.126534D+01
               141           142           143           144           145 
      1  -0.225306D+01  0.403324D+01 -0.375331D+01 -0.204706D+01 -0.557055D+00
      2  -0.126534D+01 -0.375331D+01  0.365274D+00  0.372370D+01 -0.115025D+00
      3   0.331303D+01 -0.204706D+01  0.372370D+01 -0.808123D+00 -0.107362D+01
               146           147           148           149           150 
      1  -0.115025D+00 -0.107362D+01 -0.935941D-01 -0.150318D+00 -0.310520D+00
      2   0.535440D+00  0.285126D+00 -0.150318D+00 -0.151393D+01 -0.171180D+01
      3   0.285126D+00  0.104947D+01 -0.310520D+00 -0.171180D+01 -0.218105D+01
               151           152           153           154           155 
      1  -0.140569D+01 -0.301641D+00 -0.149075D+01 -0.118766D+02  0.138073D+01
      2  -0.301641D+00 -0.168250D+01 -0.202287D+01  0.138073D+01 -0.117707D+01
      3  -0.149075D+01 -0.202287D+01 -0.875430D+01 -0.103725D+01  0.139860D+00
               156           157           158           159           160 
      1  -0.103725D+01  0.234313D+01 -0.152868D+01  0.361152D+00  0.205092D+00
      2   0.139860D+00 -0.152868D+01  0.948107D+00  0.673910D-02  0.775858D-01
      3  -0.108493D+01  0.361152D+00  0.673910D-02  0.646306D-01 -0.140213D+01
               161           162           163           164           165 
      1   0.775858D-01 -0.140213D+01 -0.595735D+00 -0.105470D+01 -0.103661D+01
      2   0.264067D+00 -0.110926D-01 -0.105470D+01  0.299737D+00 -0.664307D-01
      3  -0.110926D-01 -0.602838D+00 -0.103661D+01 -0.664307D-01 -0.149581D+00
               166           167           168           169           170 
      1  -0.145257D+01 -0.160582D+01 -0.463355D+00 -0.245648D+01 -0.128467D+01
      2  -0.160582D+01 -0.728834D+01 -0.283384D+01 -0.128467D+01 -0.536569D+01
      3  -0.463355D+00 -0.283384D+01 -0.221535D+01 -0.884936D+00 -0.435635D+01
               171           172           173           174           175 
      1  -0.884936D+00 -0.604976D-01 -0.560302D+00  0.936293D+00 -0.114443D+01
      2  -0.435635D+01 -0.560302D+00  0.620360D+00 -0.241834D+00 -0.124060D+01
      3  -0.414546D+01  0.936293D+00 -0.241834D+00  0.223856D+00  0.289757D+00
               176           177           178           179           180 
      1  -0.124060D+01  0.289757D+00  0.165295D+01  0.709402D+00 -0.594271D+00
      2  -0.623282D+01  0.278547D+01  0.709402D+00  0.413908D+01 -0.398750D+01
      3   0.278547D+01 -0.245609D+01 -0.594271D+00 -0.398750D+01  0.409840D+01
               181           182           183           184           185 
      1  -0.903784D+00 -0.649270D-01  0.882366D+00 -0.926764D+00  0.162574D+00
      2  -0.649270D-01  0.110190D+00  0.297990D+00  0.162574D+00 -0.189385D+01
      3   0.882366D+00  0.297990D+00 -0.109481D+00  0.853389D+00  0.108478D+01
               186           187           188           189           190 
      1   0.853389D+00  0.100831D+01  0.450083D+00 -0.953586D+00 -0.101627D+02
      2   0.108478D+01  0.450083D+00  0.128061D+01 -0.134248D+01  0.455809D+01
      3  -0.299296D+01 -0.953586D+00 -0.134248D+01  0.544132D+01  0.685407D+00
               191           192           193           194           195 
      1   0.455809D+01  0.685407D+00  0.357648D+01 -0.278841D+01 -0.264784D-01
      2  -0.298526D+01 -0.369892D+00 -0.278841D+01  0.295384D+01  0.385704D+00
      3  -0.369892D+00 -0.125545D+01 -0.264784D-01  0.385704D+00  0.255018D+00
               196           197           198           199           200 
      1  -0.132331D+01  0.779575D+00 -0.103443D+01  0.151835D+01  0.172723D+01
      2   0.779575D+00 -0.613035D+00  0.256791D+00  0.172723D+01  0.247717D+01
      3  -0.103443D+01  0.256791D+00 -0.160354D+00  0.497623D+00  0.128119D+01
               201           202           203           204           205 
      1   0.497623D+00  0.188630D+01  0.111144D+01  0.523743D+00  0.135785D+00
      2   0.128119D+01  0.111144D+01  0.567839D+01  0.199952D+01  0.671567D+00
      3   0.138480D+01  0.523743D+00  0.199952D+01  0.125430D+01  0.658790D+00
               206           207 
      1   0.671567D+00  0.658790D+00
      2   0.146063D+01  0.109817D+01
      3   0.109817D+01  0.141216D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.590362D+00 -0.743128D+00 -0.273178D+01 -0.150960D+01  0.863952D+00
      2  -0.104859D+01 -0.395348D+00  0.486649D+01  0.228288D+01  0.189312D+01
      3  -0.411463D+01 -0.118072D+02  0.112989D+01  0.779978D+01 -0.396036D+00
                 6             7             8             9            10 
      1  -0.285976D+00 -0.714228D+01  0.587635D+01 -0.217574D+01 -0.456319D+00
      2   0.473989D+01  0.109317D+01  0.998211D+01 -0.156951D+01  0.669396D+00
      3  -0.164051D+01 -0.124703D+01 -0.285340D+01 -0.374758D+01  0.326564D+01
                11            12            13            14            15 
      1  -0.279537D+00  0.134381D+01 -0.271834D+00  0.205458D+01  0.941030D+00
      2  -0.433223D-01  0.645936D+01  0.357296D+01 -0.818011D+00 -0.233625D+01
      3  -0.960693D+01  0.528120D+00  0.996719D+01 -0.400968D+00  0.224873D+01
                16            17            18            19            20 
      1   0.444733D+01  0.102023D+02 -0.132654D+01  0.551850D+00  0.973484D+00
      2   0.701003D+01 -0.563807D+01  0.267337D+01  0.263279D+01 -0.330504D+01
      3  -0.307182D+01  0.183426D+01  0.144135D+01  0.523568D+01 -0.680173D+01
                21            22            23            24            25 
      1   0.174907D+01  0.765099D-01 -0.314076D+00 -0.296483D+01  0.217248D+01
      2  -0.972097D+00 -0.162464D+01 -0.504550D-01  0.323812D+01 -0.130740D+02
      3   0.242429D+01  0.446863D+01 -0.692396D+01 -0.643066D+00  0.241458D+01
                26            27            28            29            30 
      1   0.854729D+00  0.146117D+01 -0.687262D+00 -0.170013D+00  0.109480D+01
      2   0.471541D+01 -0.417699D+01 -0.129238D+01  0.212786D+01 -0.246924D+01
      3  -0.233042D+01 -0.690954D+01 -0.798496D+00  0.993657D+01 -0.912743D+00
                31            32            33            34            35 
      1  -0.779578D+00  0.191653D+01 -0.169041D+00  0.214784D+01  0.880543D+01
      2   0.192844D+01 -0.831706D+00  0.294208D-01 -0.145589D+02  0.145600D+01
      3   0.117444D+02 -0.104046D+02 -0.160956D+01  0.108682D+01  0.281586D+01
                36            37            38            39            40 
      1  -0.104515D+01  0.132436D+01 -0.634981D+00 -0.583187D+00 -0.139112D+01
      2  -0.350928D+00  0.122303D+01  0.640206D+00 -0.161082D+01 -0.273019D+01
      3  -0.197419D+01 -0.572701D+01  0.576820D+01 -0.219747D+01  0.113148D+02
                41            42            43            44            45 
      1   0.454820D+00 -0.813518D+00 -0.339651D+01  0.759436D+01 -0.720574D+00
      2   0.283998D+01 -0.604751D+00 -0.134632D+02 -0.894825D+00 -0.135865D+01
      3   0.154851D+02  0.946077D+00 -0.428107D+00 -0.233186D+01  0.338347D+01
                46            47            48            49            50 
      1  -0.333749D-01  0.780079D+00 -0.697812D+00  0.120017D+01 -0.322075D+00
      2  -0.103965D+01 -0.173298D+01 -0.714392D-01 -0.198489D+01 -0.207574D+01
      3  -0.599463D+00 -0.122965D+02  0.150710D+01  0.107065D+01  0.438631D+01
                51            52            53            54            55 
      1  -0.242800D+01  0.189997D+01  0.125885D+01  0.281989D+00  0.604040D+00
      2  -0.453399D+01 -0.100355D+02 -0.837630D+01  0.345170D+01 -0.580614D+00
      3   0.121513D+01  0.153742D+01  0.114786D+01  0.685489D+01  0.319845D+01
                56            57            58            59            60 
      1  -0.311534D+01 -0.268129D+01 -0.208894D+01 -0.374374D+01  0.828176D+00
      2  -0.130206D+01  0.137389D+01 -0.311033D+01  0.469680D-01  0.654934D+01
      3  -0.115345D+01  0.182509D+01  0.131976D+02  0.620010D+01  0.676579D+01
                61            62            63            64            65 
      1  -0.680152D+01  0.970175D+01  0.606174D-01  0.294547D+01  0.181074D+01
      2  -0.113837D+02  0.946135D+01 -0.708158D-01  0.855113D+01 -0.164415D+01
      3   0.420360D+00  0.656640D+01 -0.491871D+01 -0.114071D+02 -0.758851D+01
                66            67            68            69            70 
      1   0.168760D+01 -0.197587D+00  0.230978D+01  0.121104D+01  0.226214D+01
      2   0.625985D+01 -0.257845D+01  0.145833D+01 -0.602458D+01 -0.263091D+01
      3  -0.349161D+01 -0.507689D+01  0.169589D+01 -0.473357D+01  0.985209D+00
                71            72            73            74            75 
      1   0.205222D+01 -0.259759D+01  0.600435D+00  0.773204D+00  0.585725D+00
      2  -0.100688D+02 -0.162755D+02  0.119320D+01 -0.112068D+01  0.595409D+01
      3  -0.327329D+01  0.753658D+01  0.138471D+02 -0.679512D+01  0.850486D+00
                76            77            78            79            80 
      1  -0.925292D+00  0.222510D+01 -0.758252D+01 -0.429100D+01  0.186256D+01
      2   0.287153D+00 -0.426809D+01 -0.306911D+00 -0.330592D+01  0.529096D+01
      3   0.317900D+01 -0.586509D+01  0.561021D+01 -0.292299D+01  0.764403D+01
                81            82            83            84            85 
      1   0.433119D+01 -0.724650D-01  0.454783D+00 -0.413414D+01  0.117057D+01
      2  -0.195471D+01 -0.215193D+01  0.526830D+00 -0.129939D+01  0.563794D+00
      3  -0.246903D+01 -0.550348D+01 -0.252827D+00 -0.898678D+00  0.836857D+01
                86            87            88            89            90 
      1   0.150908D+01  0.947919D+01  0.597079D+01  0.218295D+02  0.157581D+01
      2  -0.731757D-02 -0.572228D+00 -0.541039D+01 -0.476133D+01  0.179702D+00
      3  -0.335441D+01 -0.105787D+01 -0.179562D+01 -0.276116D+01  0.346171D+01
                91            92            93            94            95 
      1  -0.154200D+00 -0.402689D+00 -0.235251D+01  0.192088D+00 -0.156735D+00
      2   0.294931D+00  0.199910D+00  0.418688D+01 -0.821043D+00 -0.630341D+00
      3  -0.265055D+01 -0.598904D+01  0.754212D-01 -0.539836D+01 -0.941011D+01
                96            97            98            99           100 
      1  -0.234949D+01  0.998589D+00  0.996149D+00  0.116174D+00  0.204944D+00
      2   0.342542D+01 -0.127338D+01 -0.532880D+00 -0.201498D+00  0.174026D+01
      3   0.587728D+00  0.755260D+00  0.116650D+01 -0.263329D+00  0.260341D+01
               101           102           103           104           105 
      1   0.390770D+00  0.144456D+01 -0.757845D-01 -0.123310D+00 -0.783930D+00
      2  -0.406356D+00  0.615288D+01 -0.171801D+01  0.832206D+00 -0.219118D+01
      3  -0.584527D+01  0.260008D+00 -0.525110D+01  0.407199D+01 -0.693543D+00
               106           107           108           109           110 
      1  -0.633320D+00  0.541667D+00  0.164946D+00 -0.356687D+00 -0.502065D-01
      2  -0.170827D+01  0.266298D+00  0.610383D+00 -0.651882D+00  0.727929D+00
      3   0.130546D+01 -0.115416D+01  0.399111D+00 -0.431460D+01  0.392124D+01
               111           112           113           114           115 
      1   0.765949D+00  0.391575D+00 -0.100856D+01 -0.456127D+01 -0.294483D+00
      2  -0.202133D+00  0.992440D+00 -0.243139D+01  0.120758D+01 -0.144568D+01
      3  -0.678816D+00  0.613402D+01 -0.155746D+02  0.271796D+01 -0.131865D+01
               116           117           118           119           120 
      1   0.206793D+01  0.618799D+00  0.855673D-01 -0.404098D+00  0.985929D+00
      2   0.695106D+00 -0.254278D+00  0.420436D+00 -0.361963D+00  0.816214D+00
      3   0.339404D+01 -0.385734D+00  0.167609D+01 -0.723375D+00  0.264792D+00
               121           122           123           124           125 
      1  -0.221940D+00 -0.391967D+00 -0.459317D+01 -0.416737D-01  0.184985D+01
      2  -0.105956D+00  0.319372D+01 -0.286866D+01 -0.102399D+01 -0.288597D+00
      3   0.107676D+01  0.172192D+02 -0.285204D+01 -0.810666D-01 -0.310721D+01
               126           127           128           129           130 
      1   0.685693D+00  0.100103D+01  0.398191D+00  0.886620D+00 -0.659663D-01
      2   0.638291D+00  0.148331D+01  0.232600D+00  0.904319D+00  0.904815D+00
      3   0.152951D+00  0.211294D+01 -0.179910D+01 -0.162357D+01  0.136228D+01
               131           132           133           134           135 
      1   0.233445D-01 -0.379147D+01  0.202942D+01 -0.394125D+00  0.505042D+01
      2   0.278392D+01 -0.429866D+01 -0.666755D+00 -0.426504D+01  0.659731D+01
      3   0.530947D+01 -0.425229D+01 -0.199814D+01 -0.475673D+01  0.439100D+01
               136           137           138           139           140 
      1  -0.586432D+01  0.208962D+01  0.479678D+00  0.522835D+01 -0.537641D+00
      2  -0.667597D+01  0.108381D+02  0.580366D+01  0.977771D+01  0.336084D+01
      3   0.200952D+01 -0.169899D+02 -0.479779D+01 -0.911833D+01 -0.781636D+01
               141           142           143           144           145 
      1  -0.128803D+02  0.467551D+00 -0.732788D+01  0.545876D+01  0.117598D+00
      2  -0.431979D+01  0.208397D+01 -0.514575D+01  0.296246D+01  0.276812D+01
      3  -0.877276D+01 -0.271820D+01 -0.932801D+01  0.461566D+01  0.474543D+00
               146           147           148           149           150 
      1  -0.157492D+01 -0.123323D-01 -0.272671D+00  0.267932D+01  0.642063D+00
      2  -0.532652D+00 -0.299729D+01 -0.560250D+00  0.389852D+01  0.480432D+01
      3   0.171482D+01  0.661868D+00  0.260396D+01 -0.400272D+01 -0.386233D+01
               151           152           153           154           155 
      1  -0.286194D-01  0.485680D+01  0.650013D+00 -0.119778D+01  0.137760D+01
      2  -0.129884D+01  0.455291D+01  0.198286D+02 -0.797392D+01  0.829581D+00
      3   0.393687D+00 -0.472003D+01 -0.357227D+01  0.456921D+01 -0.686669D+01
               156           157           158           159           160 
      1   0.174035D+00  0.129442D+01 -0.113255D+01 -0.885108D+00 -0.350756D+00
      2   0.482516D+01  0.130391D+01 -0.114043D+01 -0.442256D+00  0.289310D+01
      3   0.637202D+00 -0.318579D+01  0.372011D+01  0.461993D+00  0.630426D+00
               161           162           163           164           165 
      1   0.442144D+00  0.394442D+00 -0.276993D+01  0.136112D+00 -0.349247D+00
      2   0.179238D+00  0.352625D+00 -0.207400D+00 -0.493098D+00  0.113504D+01
      3   0.127135D+01  0.472639D-01  0.154006D+01  0.169617D+01  0.325149D+01
               166           167           168           169           170 
      1  -0.157400D+01 -0.560464D+01 -0.729698D+01 -0.251085D+01 -0.907076D+01
      2  -0.377031D+00  0.122053D+01  0.126771D+01 -0.576295D+00  0.229232D+01
      3   0.341164D+01 -0.281805D+01 -0.124231D+01  0.704052D+01 -0.655934D+00
               171           172           173           174           175 
      1  -0.109191D+02  0.199789D+01 -0.280222D+00  0.720973D+00  0.102942D+01
      2   0.175799D+01 -0.123783D+00  0.465137D+00  0.253752D+00  0.678293D+00
      3  -0.192420D+01 -0.458564D+00 -0.645417D+00 -0.260243D+01  0.270415D+01
               176           177           178           179           180 
      1   0.489790D+01 -0.690295D+01 -0.175009D+01 -0.739676D+01  0.980283D+01
      2  -0.223713D+01  0.171244D+01 -0.153510D+01  0.262981D+01 -0.287846D+01
      3  -0.267669D+01  0.225538D+01 -0.478037D+01  0.273729D+01 -0.304963D+01
               181           182           183           184           185 
      1  -0.188318D+01 -0.211748D+00  0.762663D+00 -0.118552D+01 -0.728177D+01
      2  -0.102793D+01 -0.345926D+00  0.132868D-01  0.275495D+00 -0.242717D+01
      3  -0.161550D+01 -0.275383D+00  0.202143D+01 -0.788404D-01 -0.484544D+01
               186           187           188           189           190 
      1   0.623189D+01  0.210147D+01  0.661255D+01 -0.121823D+02  0.213563D+01
      2   0.538902D+01 -0.162881D+01  0.281102D+01 -0.968544D+01  0.730218D+01
      3   0.378237D+01  0.250801D+01  0.382895D+01 -0.493777D+01 -0.121919D+02
               191           192           193           194           195 
      1  -0.200282D+01  0.341384D+01 -0.212095D+01  0.171729D+01 -0.115702D+01
      2  -0.284391D+01  0.498595D+01 -0.311286D+01  0.109010D+01 -0.149083D+01
      3  -0.340321D-01  0.256297D+00  0.300858D+01  0.170723D+01  0.906594D+00
               196           197           198           199           200 
      1   0.225792D+01  0.250586D+00  0.499970D+00  0.131634D+01  0.685114D+00
      2   0.155918D+01 -0.589501D+00  0.124398D+01 -0.415090D+01 -0.401109D+01
      3  -0.698686D+00  0.501555D+00 -0.185369D+01  0.100147D+02  0.840237D+01
               201           202           203           204           205 
      1  -0.255296D+01  0.743853D+00  0.191581D+01 -0.233221D+01 -0.680514D+00
      2  -0.192405D+01 -0.384424D+01 -0.570044D+01 -0.237318D+01 -0.266576D+01
      3   0.345660D+01  0.974331D+01  0.135312D+02  0.522025D+01  0.198291D+01
               206           207 
      1   0.564880D+00 -0.213274D+01
      2  -0.260891D+01 -0.287804D+01
      3   0.436412D+01  0.372168D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.158473D+01 -0.177303D+02  0.282868D+01  0.268504D+02 -0.514819D+00
      2  -0.232619D+01  0.124296D+02  0.518224D+00 -0.260698D+02 -0.392257D+01
      3   0.391092D+01  0.530068D+01 -0.334691D+01 -0.780594D+00  0.443739D+01
      4  -0.195501D+02  0.145962D+02 -0.381382D+01 -0.211565D+01 -0.196800D+02
      5  -0.127045D+01 -0.217252D+01  0.102755D+02  0.664599D+01  0.604365D+01
      6  -0.228652D+01 -0.184550D+01  0.610316D+01  0.643578D+01  0.252696D+01
                 6             7             8             9            10 
      1   0.175147D+01 -0.827038D+01 -0.149063D+01  0.977391D+01 -0.787014D+01
      2  -0.246070D+01  0.952798D+01  0.342039D+01 -0.132965D+02  0.459907D+01
      3   0.709236D+00 -0.125760D+01 -0.192976D+01  0.352259D+01  0.327107D+01
      4   0.893214D+01  0.253465D+01  0.901625D+01  0.130579D+02  0.103623D+02
      5   0.979955D+01  0.273418D+02  0.152142D+02 -0.439189D+01 -0.613438D+01
      6   0.137175D+01  0.829124D+01  0.927513D+01  0.303615D+01 -0.732842D+00
                11            12            13            14            15 
      1   0.622013D+01 -0.570678D+01 -0.190957D+02 -0.197667D+02  0.568252D+01
      2  -0.309202D+01  0.242385D+01  0.176404D+02  0.184815D+02 -0.647072D+01
      3  -0.312810D+01  0.328294D+01  0.145526D+01  0.128518D+01  0.788199D+00
      4   0.218475D+02 -0.121147D+00 -0.182785D+02  0.168758D+02 -0.747262D+01
      5   0.901856D+00  0.136986D+02  0.957303D+01 -0.411318D+01 -0.501673D+01
      6   0.268032D-01 -0.306336D+01 -0.559914D+01 -0.207584D+01 -0.172983D+01
                16            17            18            19            20 
      1  -0.259404D+01  0.765104D+01  0.146991D+02  0.118807D+02 -0.878616D+00
      2  -0.223338D+01 -0.521637D+01 -0.185299D+02 -0.906194D+01 -0.265864D+01
      3   0.482742D+01 -0.243467D+01  0.383073D+01 -0.281881D+01  0.353725D+01
      4   0.116179D+02 -0.478149D+01 -0.467438D+01  0.906596D+01 -0.252653D+02
      5   0.338642D+02 -0.790988D+01  0.550397D+01  0.234206D+01  0.205011D+01
      6  -0.356495D+01  0.481684D+01  0.208123D+01  0.255439D+01 -0.613498D+00
                21            22            23            24            25 
      1   0.780938D+00  0.877630D+01  0.109277D+02 -0.493114D+01  0.184568D+01
      2  -0.978906D+00 -0.144450D+01 -0.171917D+02  0.691158D+01 -0.226970D+01
      3   0.197968D+00 -0.733180D+01  0.626407D+01 -0.198044D+01  0.424016D+00
      4   0.376226D+01  0.168442D+02  0.735021D+01  0.111185D+01 -0.149568D+01
      5  -0.384513D+01 -0.122884D+01  0.729212D+00  0.478016D+01  0.284480D+01
      6  -0.270718D+01 -0.152397D+01  0.103067D+02  0.496685D+01  0.103945D+01
                26            27            28            29            30 
      1  -0.432607D+01 -0.128160D+02 -0.330604D+02  0.125014D+02 -0.153091D+01
      2   0.992760D+01  0.253031D+00  0.193957D+02 -0.643692D+01 -0.463210D+00
      3  -0.560153D+01  0.125630D+02  0.136647D+02 -0.606445D+01  0.199412D+01
      4  -0.180349D+01  0.108198D+02 -0.105789D+02  0.914647D+01 -0.438336D+00
      5   0.981261D+01 -0.847763D+01 -0.298601D+01  0.113051D+01 -0.261619D+01
      6   0.141931D+02 -0.552741D+01  0.184401D+01 -0.240036D+00 -0.181585D+01
                31            32            33            34            35 
      1   0.110345D+02 -0.349726D+01  0.701637D+00 -0.661540D+01  0.225388D+01
      2  -0.282887D+01  0.640722D+01 -0.307106D+01 -0.715548D+00 -0.161393D+01
      3  -0.820559D+01 -0.290996D+01  0.236942D+01  0.733095D+01 -0.639947D+00
      4  -0.575238D+01  0.906012D+01 -0.177883D+01  0.395241D+01 -0.303258D+01
      5   0.180919D+01 -0.127443D+01 -0.760606D+00  0.107830D+01  0.409546D+00
      6  -0.645944D+01 -0.269089D+01  0.154548D+01 -0.939767D+00  0.669983D+01
                36            37            38            39            40 
      1  -0.121142D+02 -0.180220D+02 -0.269812D+02  0.254933D+01 -0.148699D+02
      2  -0.254561D+00  0.153281D+02  0.210894D+02  0.429966D+00  0.388995D+01
      3   0.123688D+02  0.269389D+01  0.589180D+01 -0.297930D+01  0.109800D+02
      4  -0.193558D+01 -0.549738D+01  0.256695D+01 -0.144621D+01  0.682280D+00
      5  -0.443726D+00  0.239637D+01  0.500391D+00 -0.152542D+01  0.556656D+00
      6   0.180184D+01 -0.286329D+01 -0.181624D+00  0.948123D+00  0.794965D+01
                41            42            43            44            45 
      1  -0.935481D+01 -0.452204D+00  0.216141D+01 -0.192391D+01 -0.140707D+02
      2   0.985440D+01 -0.946301D+00  0.218617D+01  0.168218D+01  0.290739D+01
      3  -0.499598D+00  0.139851D+01 -0.434758D+01  0.241724D+00  0.111633D+02
      4  -0.929388D+01  0.301792D+01  0.125037D+00  0.293184D+01 -0.207631D+01
      5   0.323052D+01  0.315681D-01  0.166436D+01 -0.277068D+01 -0.942033D+00
      6   0.433931D-01  0.166675D+01 -0.693445D+00  0.950526D+01  0.133127D+01
                46            47            48            49            50 
      1   0.132976D+02  0.187521D+02 -0.330946D+00 -0.190476D+02  0.139028D+02
      2  -0.137974D+02 -0.137803D+02  0.303288D+00  0.152169D+02 -0.206167D+02
      3   0.499819D+00 -0.497185D+01  0.276578D-01  0.383072D+01  0.671393D+01
      4   0.582217D+01 -0.203555D+02  0.527634D+01  0.109223D+02 -0.981148D+00
      5  -0.279170D+01  0.308746D+01 -0.238450D+01 -0.369410D+00 -0.427576D+01
      6   0.528497D+01 -0.144632D+01  0.497160D+00 -0.231006D+01  0.980752D+01
                51            52            53            54            55 
      1  -0.392950D+01  0.281900D+01 -0.222687D+01 -0.608437D+01  0.200661D+02
      2   0.606503D+01 -0.424278D+01  0.878602D+01 -0.341413D+01 -0.992180D+01
      3  -0.213553D+01  0.142378D+01 -0.655916D+01  0.949850D+01 -0.101443D+02
      4  -0.405872D+01  0.159143D+01 -0.820949D+01 -0.138799D+02 -0.392852D+01
      5  -0.830092D+01  0.784533D+01 -0.143079D+02  0.655201D+01  0.217859D+01
      6   0.441542D+01 -0.471197D+01  0.132038D+02 -0.226404D+01 -0.292010D+01
                56            57            58            59            60 
      1  -0.136310D+02 -0.368669D+01 -0.184356D+02  0.363468D+01 -0.901975D+01
      2   0.103130D+02  0.411098D+01  0.125397D+02  0.120784D+01  0.653192D+01
      3   0.331800D+01 -0.424291D+00  0.589586D+01 -0.484252D+01  0.248784D+01
      4  -0.672810D+01 -0.453056D+01 -0.131418D+02  0.695847D+01 -0.463504D+01
      5  -0.628761D+01 -0.619744D+01 -0.758835D+01 -0.636069D+01  0.131724D+02
      6   0.376712D+01  0.398382D+01  0.736806D+00  0.767359D+01 -0.160402D+02
                61            62            63            64            65 
      1  -0.905933D+00 -0.756088D+01  0.110518D+02 -0.471240D+02  0.136660D+02
      2   0.447758D+01  0.176564D+01 -0.100489D+02  0.244392D+02 -0.940077D+01
      3  -0.357165D+01  0.579523D+01 -0.100287D+01  0.226847D+02 -0.426521D+01
      4  -0.108195D+02  0.182697D+01  0.189274D+02  0.149843D+02  0.337348D+01
      5  -0.140765D+02  0.177775D+02 -0.230354D+01 -0.746620D+01  0.638006D+01
      6   0.146792D+02 -0.211568D+02  0.957730D+01  0.267509D+01  0.115588D+01
                66            67            68            69            70 
      1  -0.442765D+01  0.197909D+02  0.811529D+01  0.792107D+01  0.578020D+00
      2  -0.161966D+01 -0.121623D+02 -0.108317D+02 -0.206411D-01  0.121959D+01
      3   0.604731D+01 -0.762860D+01  0.271642D+01 -0.790043D+01 -0.179761D+01
      4   0.424086D+01 -0.694594D+00  0.112157D+01  0.540841D+01  0.536653D+01
      5   0.614962D+01  0.995724D+01  0.709686D+01 -0.455602D+01 -0.154409D+01
      6   0.713126D+00  0.189470D+01 -0.677026D+00 -0.414265D+01 -0.226514D+01
                71            72            73            74            75 
      1   0.332764D+01  0.142134D+02  0.310712D+02  0.802421D+01 -0.312152D+00
      2   0.863993D+01  0.131369D+02 -0.177176D+02 -0.556878D+01 -0.893205D+00
      3  -0.119676D+02 -0.273503D+02 -0.133535D+02 -0.245544D+01  0.120536D+01
      4   0.412240D+00 -0.128982D+02  0.128671D+02  0.113973D+02 -0.462996D+01
      5  -0.125498D+02 -0.242819D+02 -0.483495D+01 -0.300615D+01  0.951732D+01
      6  -0.207057D+01 -0.105555D+02 -0.114432D+01 -0.553264D+01 -0.364099D+01
                76            77            78            79            80 
      1  -0.772909D+01 -0.621018D+01  0.995622D+00 -0.603620D+01 -0.488700D+00
      2   0.881498D+01  0.149251D+02  0.104382D+01  0.471045D+01 -0.397851D+01
      3  -0.108590D+01 -0.871491D+01 -0.203944D+01  0.132575D+01  0.446721D+01
      4   0.124331D+02  0.106987D+02 -0.650824D+01 -0.577676D+01 -0.631617D+01
      5  -0.415457D+01 -0.624413D+01 -0.188709D+01  0.103748D+02  0.757040D+01
      6  -0.286189D+00 -0.218499D+01  0.104968D+02  0.384575D+01  0.967460D+01
                81            82            83            84            85 
      1  -0.607286D+01 -0.114986D+02 -0.405524D+01 -0.415201D+00  0.186207D+02
      2  -0.340364D+01  0.891747D+01  0.655142D+01  0.179100D+01 -0.164564D+02
      3   0.947650D+01  0.258114D+01 -0.249618D+01 -0.137580D+01 -0.216431D+01
      4   0.915776D+01  0.157800D+01 -0.196701D+01  0.147818D+01 -0.585434D+00
      5  -0.413003D+01 -0.148923D+01  0.724152D+00 -0.590584D+01 -0.186483D+01
      6  -0.262667D+01 -0.730689D+00  0.827118D+00  0.889591D+01 -0.319830D+01
                86            87            88            89            90 
      1   0.379446D+02  0.851935D+00  0.529597D+01  0.504329D+01  0.293767D+02
      2  -0.363188D+02 -0.199312D+01 -0.556410D+01 -0.773035D+01 -0.282334D+02
      3  -0.162581D+01  0.114118D+01  0.268128D+00  0.268706D+01 -0.114329D+01
      4  -0.610272D+01 -0.191256D+01 -0.237726D+01 -0.362050D+01 -0.758216D+01
      5  -0.266889D+01 -0.436285D+01 -0.270959D+01 -0.947729D+01 -0.123314D+01
      6  -0.343099D+01 -0.266894D+02 -0.713547D+01 -0.408780D+02 -0.350053D+01
                91            92            93            94            95 
      1   0.481300D+02  0.233848D+02 -0.231491D+01  0.201318D+02  0.143329D+02
      2  -0.191054D+02 -0.621087D+01  0.126346D+01 -0.145777D+01  0.368979D+01
      3  -0.290246D+02 -0.171739D+02  0.105145D+01 -0.186741D+02 -0.180227D+02
      4   0.446728D+02  0.314921D+02 -0.222163D+01  0.381660D+02  0.375178D+02
      5  -0.529833D+01 -0.264226D+01  0.792230D+01 -0.489214D+01 -0.410193D+01
      6  -0.871097D+00 -0.667174D+00  0.336439D+01 -0.202516D+01 -0.180372D+01
                96            97            98            99           100 
      1  -0.168520D+01 -0.112990D+01 -0.776976D+00  0.131400D+01  0.931550D+02
      2   0.835763D+00 -0.251791D+00 -0.529989D+00  0.165260D+00 -0.513887D+02
      3   0.849439D+00  0.138169D+01  0.130696D+01 -0.147926D+01 -0.417664D+02
      4  -0.328261D+01 -0.399064D+01 -0.360604D+01  0.374862D+01 -0.313483D+02
      5   0.574401D+01  0.327017D+01  0.240703D+01 -0.926526D+00  0.115293D+02
      6   0.431806D+01  0.182400D+01  0.238560D+01 -0.998560D+00 -0.338531D+00
               101           102           103           104           105 
      1  -0.207948D+02  0.802286D+01 -0.191650D+02  0.137803D+02 -0.290091D+01
      2   0.102253D+02 -0.542076D+01  0.810417D+01 -0.542959D+01  0.193962D+01
      3   0.105695D+02 -0.260211D+01  0.110608D+02 -0.835073D+01  0.961293D+00
      4   0.157556D+02 -0.271916D+01  0.228865D+02 -0.127797D+02  0.263237D+01
      5  -0.251456D+01  0.112857D+02 -0.499901D+01  0.271808D+01 -0.355349D+01
      6   0.584677D+00 -0.187401D+01  0.147238D+01 -0.726286D+00  0.212503D+01
               106           107           108           109           110 
      1   0.955891D+01 -0.305129D+01  0.417507D+01 -0.418645D+01  0.643662D+01
      2  -0.540826D+01  0.150204D+01 -0.242019D+01  0.561545D+01 -0.568665D+01
      3  -0.415066D+01  0.154926D+01 -0.175488D+01 -0.142901D+01 -0.749975D+00
      4  -0.577474D+01  0.290098D+01 -0.284688D+01  0.112748D+01  0.670051D+01
      5   0.497956D+01 -0.169598D+01  0.251674D+01 -0.419475D+00 -0.627954D+00
      6  -0.111917D+01  0.126862D+01 -0.864695D+00 -0.161524D+01  0.200051D+01
               111           112           113           114           115 
      1  -0.177987D+01  0.371445D+01 -0.369481D+02  0.703131D+01 -0.120487D+01
      2   0.114568D+01 -0.314615D+01  0.513380D+02 -0.699522D+01  0.130580D+01
      3   0.634191D+00 -0.568300D+00 -0.143899D+02 -0.360916D-01 -0.100930D+00
      4  -0.772285D+00  0.558405D+01  0.191206D+02 -0.386541D+01 -0.858158D+00
      5   0.990917D+00 -0.894149D+00 -0.458090D+01  0.267259D+01  0.722846D+00
      6  -0.112000D+01  0.202472D+00 -0.132685D+02  0.920508D+01 -0.241642D+00
               116           117           118           119           120 
      1   0.743356D+01 -0.354081D+01  0.147561D+01 -0.330035D+01  0.578368D+00
      2  -0.877571D+01  0.388745D+01  0.338795D+01 -0.250835D+01  0.128384D+00
      3   0.134215D+01 -0.346630D+00 -0.486356D+01  0.580870D+01 -0.706752D+00
      4  -0.301552D+01 -0.149258D-01 -0.110905D+02  0.155270D+02 -0.302036D+01
      5   0.630290D+00 -0.383031D+00  0.203682D+01 -0.275431D+01  0.276698D+01
      6   0.550185D+01 -0.342590D+01 -0.186509D+01  0.208113D+01 -0.177284D+01
               121           122           123           124           125 
      1   0.115083D+01 -0.244668D+02  0.417460D+01  0.156667D+00  0.404244D+01
      2  -0.789223D+01  0.442430D+02 -0.501762D+01  0.911689D+00 -0.653315D+01
      3   0.674140D+01 -0.197762D+02  0.843022D+00 -0.106836D+01  0.249071D+01
      4   0.171057D+02 -0.429800D+02  0.714823D+01 -0.369249D+01  0.847595D+01
      5  -0.268952D+01  0.645909D+01 -0.532189D+01  0.150520D+01 -0.226380D+01
      6   0.271772D+01 -0.106926D+02  0.880690D+01 -0.156773D+01  0.562846D+01
               126           127           128           129           130 
      1  -0.300688D+01 -0.163057D+00 -0.109325D+01  0.282383D+01  0.381925D+01
      2   0.371149D+01 -0.164693D-01  0.101427D+00 -0.192377D+01 -0.393602D+01
      3  -0.704604D+00  0.179526D+00  0.991823D+00 -0.900062D+00  0.116770D+00
      4  -0.268013D+01 -0.394396D+01  0.671294D+01 -0.365488D+01  0.979034D+01
      5   0.176606D+01  0.477459D+01 -0.265158D+01  0.680773D+01 -0.317951D+01
      6  -0.329512D+01 -0.577184D+01  0.996218D+00 -0.184633D+01  0.394400D+01
               131           132           133           134           135 
      1  -0.138988D+02  0.968909D+01 -0.585158D+00  0.104695D+02 -0.154205D+02
      2   0.140240D+02 -0.735615D+01 -0.887723D+00 -0.485416D+01  0.653997D+00
      3  -0.125185D+00 -0.233295D+01  0.147288D+01 -0.561531D+01  0.147665D+02
      4  -0.142338D+02  0.728526D+01 -0.515621D+01  0.829706D+01 -0.983317D+01
      5   0.767598D+01 -0.910382D+01  0.938631D+01 -0.101432D+02  0.154275D+02
      6  -0.164677D+02  0.171950D+02 -0.709692D+01  0.178238D+02 -0.229681D+02
               136           137           138           139           140 
      1  -0.201226D+02  0.294956D+02  0.693568D+01  0.279469D+02  0.731753D+01
      2  -0.730618D+01 -0.175193D+02 -0.872235D+01 -0.144566D+02 -0.945711D+01
      3   0.274288D+02 -0.119763D+02  0.178667D+01 -0.134903D+02  0.213958D+01
      4   0.371592D+02 -0.155687D+02  0.503505D+01 -0.899502D+01 -0.233853D+01
      5   0.409172D+01 -0.467371D-01  0.429571D+01  0.272644D+01  0.712055D+00
      6  -0.330834D+01 -0.104422D+02 -0.621476D+01 -0.959282D+01 -0.632673D+01
               141           142           143           144           145 
      1   0.350775D+01  0.535385D+01  0.386183D+01 -0.250462D+01  0.278292D+01
      2  -0.173504D+02 -0.892299D+01 -0.125046D+02  0.138023D+02 -0.433661D+01
      3   0.138427D+02  0.356914D+01  0.864274D+01 -0.112977D+02  0.155370D+01
      4  -0.420440D+00  0.163962D+02 -0.732466D+01 -0.181693D+02  0.473637D+00
      5  -0.153828D+02  0.973562D+01 -0.181077D+02  0.154516D+01  0.444837D+01
      6   0.610173D+01 -0.131103D+02  0.105897D+02  0.516463D+01  0.146825D+01
               146           147           148           149           150 
      1   0.112689D+01  0.790438D+01  0.345925D+00 -0.639504D+01 -0.571264D+01
      2   0.698803D-01 -0.529542D+00 -0.104376D+01  0.125290D+01 -0.186479D+01
      3  -0.119677D+01 -0.737484D+01  0.697839D+00  0.514214D+01  0.757743D+01
      4  -0.872322D+00  0.624946D+00  0.307694D+01  0.629812D+01  0.716725D+01
      5   0.255638D+00  0.133705D+01  0.298166D+01  0.626736D+01  0.870481D+01
      6  -0.835363D+00 -0.122850D+01  0.130710D+01  0.646243D+01  0.106778D+02
               151           152           153           154           155 
      1   0.407328D+01 -0.431252D+01 -0.176242D+02  0.771020D+02 -0.859115D+01
      2  -0.671840D+01 -0.296628D+01 -0.215037D+02 -0.432270D+02  0.482119D+01
      3   0.264512D+01  0.727880D+01  0.391279D+02 -0.338749D+02  0.376996D+01
      4   0.263805D+01  0.751061D+01  0.873015D+01 -0.837641D+01  0.999466D+01
      5   0.120672D+02  0.807549D+01  0.348128D+02  0.170205D+02 -0.231357D+01
      6   0.213403D+01  0.740324D+01  0.125074D+02 -0.147438D+01  0.128218D+01
               156           157           158           159           160 
      1   0.554546D+01 -0.137679D+02  0.822398D+01 -0.211121D+01 -0.131828D+01
      2  -0.512795D+01  0.774559D+01 -0.320230D+01  0.926232D+00 -0.124427D+01
      3  -0.417509D+00  0.602235D+01 -0.502167D+01  0.118498D+01  0.256255D+01
      4  -0.760329D+00  0.128297D+02 -0.598657D+01  0.467036D+00 -0.569372D+00
      5   0.102480D+02 -0.451227D+01  0.140148D+01 -0.174029D+01  0.116019D+02
      6  -0.491245D+00  0.225087D+01 -0.131306D+01  0.216874D+01 -0.760532D+00
               161           162           163           164           165 
      1  -0.324267D+00  0.642199D+01 -0.102167D+01  0.308301D+01  0.144084D+01
      2  -0.635013D+00 -0.600492D+01  0.225636D+01 -0.274827D+01 -0.145898D+01
      3   0.959280D+00 -0.417068D+00 -0.123469D+01 -0.334736D+00  0.181387D-01
      4  -0.888986D+00 -0.491765D+00  0.282748D+01  0.759827D+01  0.483731D+01
      5  -0.866305D+00  0.361276D+01  0.195806D+01  0.291260D+01  0.464526D+01
      6   0.129969D+01  0.318586D+00  0.695959D+01  0.338507D+00  0.475415D+00
               166           167           168           169           170 
      1  -0.413910D+01 -0.306557D+02 -0.114897D+02 -0.242742D+01 -0.232077D+02
      2   0.593041D+01  0.389868D+02  0.139331D+02  0.296556D+01  0.246490D+02
      3  -0.179130D+01 -0.833109D+01 -0.244342D+01 -0.538144D+00 -0.144127D+01
      4   0.652332D+01  0.102382D+02  0.399318D+01  0.796152D+01  0.756128D+01
      5   0.236567D+01  0.408897D+01  0.323806D+01  0.508134D+01  0.688263D+01
      6   0.351860D+01  0.213972D+02  0.172749D+02  0.633324D+01  0.303644D+02
               171           172           173           174           175 
      1  -0.207745D+02 -0.412858D+00  0.358462D+01 -0.297239D+01 -0.382002D+01
      2   0.159135D+02  0.793023D+00 -0.369500D+01  0.185040D+01  0.464209D+01
      3   0.486102D+01 -0.380165D+00  0.110378D+00  0.112198D+01 -0.822073D+00
      4   0.575379D+01  0.970999D+00  0.644846D+01 -0.458103D+01  0.528722D+01
      5   0.589051D+01 -0.126629D+01 -0.254204D+01  0.343875D+01 -0.168413D+01
      6   0.253543D+02 -0.577664D+01  0.179563D+01 -0.163619D+01 -0.220132D+01
               176           177           178           179           180 
      1  -0.269081D+02  0.124770D+02  0.900927D+00  0.191284D+02 -0.206392D+02
      2   0.327323D+02 -0.137050D+02 -0.110304D+01 -0.183361D+02  0.137311D+02
      3  -0.582424D+01  0.122799D+01  0.202112D+00 -0.792257D+00  0.690801D+01
      4   0.742843D+01 -0.311195D+01 -0.592090D+01 -0.504454D+01  0.452719D+01
      5  -0.389926D+01  0.347713D+01  0.382102D+01  0.607894D+01 -0.528881D+01
      6  -0.198125D+02  0.177395D+02  0.457649D+01  0.263616D+02 -0.237566D+02
               181           182           183           184           185 
      1   0.369015D+01 -0.149574D+01 -0.455534D+01  0.975085D+00 -0.650023D+00
      2  -0.408000D+01  0.641770D+00  0.407179D+01 -0.220605D+01 -0.599873D+01
      3   0.389851D+00  0.853965D+00  0.483552D+00  0.123096D+01  0.664875D+01
      4  -0.225294D+01  0.185131D+01  0.626126D+00 -0.107987D+00  0.851594D+01
      5  -0.513845D+01 -0.161755D+01  0.525033D+01 -0.560367D+01 -0.371984D+01
      6   0.956457D+00  0.116044D+01  0.509314D+00  0.156426D+01 -0.292182D+01
               186           187           188           189           190 
      1   0.173732D+01 -0.381999D+01 -0.477312D+00 -0.794612D+01  0.448953D+02
      2   0.115868D+02  0.634264D+01  0.907130D+01 -0.199446D+02 -0.101846D+02
      3  -0.133242D+02 -0.252265D+01 -0.859399D+01  0.278907D+02 -0.347106D+02
      4  -0.373040D+01  0.409170D+00 -0.451016D+01  0.582252D+01 -0.507367D+02
      5   0.116571D+02  0.840051D+01  0.535156D+01 -0.204617D+02 -0.138692D+02
      6  -0.157281D+01 -0.119256D+01  0.251302D+01  0.740351D+01  0.519489D+01
               191           192           193           194           195 
      1  -0.141813D+02 -0.372159D-01 -0.992538D+01  0.342572D+01 -0.924400D+00
      2  -0.320755D+01  0.189433D+01 -0.522207D+01  0.955167D+01  0.139199D+01
      3   0.173888D+02 -0.185711D+01  0.151475D+02 -0.129774D+02 -0.467590D+00
      4   0.304551D+02  0.276959D+01  0.264247D+02 -0.225536D+02 -0.131945D+01
      5   0.634507D+01  0.949836D+01  0.420863D+01 -0.359414D+01 -0.231758D+01
      6  -0.380106D+01 -0.622179D+01 -0.235818D+01  0.405432D+01  0.349096D+01
               196           197           198           199           200 
      1   0.402657D+01 -0.114799D+01  0.443646D+01 -0.771698D+01 -0.166444D+02
      2   0.163237D+01 -0.106064D+01 -0.257980D+01  0.103561D+02  0.178214D+02
      3  -0.565894D+01  0.220863D+01 -0.185666D+01 -0.263911D+01 -0.117696D+01
      4  -0.599494D+01  0.390912D+01 -0.476545D+01  0.306568D+01  0.335970D+01
      5   0.780251D+01 -0.227750D+01 -0.109048D+00  0.289904D+01  0.981848D+00
      6  -0.502384D+01  0.302134D+01 -0.111448D+01  0.476127D+01  0.958919D+01
               201           202           203           204           205 
      1  -0.772606D+01 -0.116108D+02 -0.277169D+02 -0.107599D+02 -0.366985D+01
      2   0.539984D+01  0.106964D+02  0.370303D+02  0.108762D+02  0.247501D+01
      3   0.232622D+01  0.914402D+00 -0.931344D+01 -0.116376D+00  0.119484D+01
      4   0.151900D+00  0.718702D+01 -0.658050D+01 -0.235669D+01 -0.166199D+00
      5  -0.764930D+00  0.283589D+01 -0.159009D+01 -0.973285D+00  0.101454D+01
      6   0.814263D+01  0.427094D+01  0.182135D+02  0.114968D+02  0.437350D+01
               206           207 
      1  -0.929165D+01 -0.943978D+01
      2   0.789547D+01  0.487929D+01
      3   0.139618D+01  0.456049D+01
      4  -0.688673D+00  0.130304D+01
      5  -0.166597D+00 -0.154390D+01
      6   0.106424D+02  0.841423D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.226347D+00      0.575317D+00      0.191905D+01
   y          0.189666D+00      0.482084D+00      0.160806D+01
   z         -0.308094D+00     -0.783097D+00     -0.261213D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.139945D+03      0.207377D+02      0.230738D+02
   yx        -0.282459D+01     -0.418560D+00     -0.465711D+00
   yy         0.123418D+03      0.182887D+02      0.203489D+02
   zx         0.287768D+01      0.426428D+00      0.474465D+00
   zy        -0.388014D+01     -0.574978D+00     -0.639749D+00
   zz         0.804671D+02      0.119240D+02      0.132672D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119676D+03      0.177341D+02      0.197319D+02
   aniso      0.552275D+02      0.818387D+01      0.910578D+01
   xx         0.146072D+03      0.216457D+02      0.240841D+02
   yx        -0.232649D+01     -0.344750D+00     -0.383586D+00
   yy         0.128067D+03      0.189775D+02      0.211154D+02
   zx         0.271070D+01      0.401684D+00      0.446933D+00
   zy        -0.390715D+01     -0.578980D+00     -0.644202D+00
   zz         0.848886D+02      0.125792D+02      0.139962D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.66220243         -0.83929219          3.54989462
     6          4.66476626          1.25623974          2.31679814
     6          1.31896453         -1.76693413          2.83444931
     6         -0.06333214         -0.63268118          0.89704235
     6          0.94850526          1.47008224         -0.33271392
     6          3.30472591          2.39897540          0.39150176
     6         -2.60382006         -1.68251464          0.10436484
     6         -4.06600245          0.33679553         -1.34717779
     8         -2.56923868          1.34538785         -3.33249771
     6         -0.52623406          2.78670377         -2.39072981
     1          4.70441885         -1.74128215          5.06108897
     1          6.49630156          1.99076441          2.85463850
     1          0.53275239         -3.39560187          3.79687613
     1          4.08091096          4.03222583         -0.57264486
     1         -3.67930483         -2.14309546          1.81176297
     6         -2.30054647         -4.09564630         -1.47271244
     1         -4.65982098          1.85995797         -0.06673155
     1         -5.74753054         -0.45747117         -2.23388248
     1         -1.23032680          4.60840651         -1.67092280
     1          0.69143089          3.18777572         -4.00508959
     1         -1.34355663         -3.67049862         -3.24745136
     1         -4.14225117         -4.92038558         -1.90762434
     1         -1.18449193         -5.50425137         -0.46433365

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.426765D+00      0.108473D+01      0.361827D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.126668D+03      0.187703D+02      0.208848D+02
   yx         0.148868D+02      0.220599D+01      0.245450D+01
   yy         0.112526D+03      0.166746D+02      0.185530D+02
   zx         0.207075D+02      0.306853D+01      0.341420D+01
   zy        -0.141025D+02     -0.208978D+01     -0.232519D+01
   zz         0.104636D+03      0.155055D+02      0.172522D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119676D+03      0.177341D+02      0.197319D+02
   aniso      0.552275D+02      0.818387D+01      0.910578D+01
   xx         0.132030D+03      0.195648D+02      0.217688D+02
   yx         0.147924D+02      0.219201D+01      0.243894D+01
   yy         0.117035D+03      0.173428D+02      0.192965D+02
   zx         0.216444D+02      0.320737D+01      0.356869D+01
   zy        -0.142277D+02     -0.210833D+01     -0.234583D+01
   zz         0.109963D+03      0.162948D+02      0.181304D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-32\Freq\RM11\Gen\C10H12O1\PIERPA\23-Jul-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,2.556893,0.962771
 ,-0.130925\C,2.806469,-0.381564,0.128707\C,1.251477,1.398833,-0.297104
 \C,0.177898,0.511952,-0.211676\C,0.433041,-0.835657,0.047582\C,1.74675
 7,-1.271183,0.21376\C,-1.245374,1.001383,-0.374974\C,-2.153843,-0.1800
 74,-0.70573\O,-1.97533,-1.227911,0.235605\C,-0.702105,-1.829642,0.1102
 51\H,3.377111,1.66524,-0.2036\H,3.821503,-0.731857,0.264537\H,1.055538
 ,2.445124,-0.502408\H,1.938106,-2.319299,0.415829\H,-1.27568,1.69661,-
 1.220779\C,-1.728541,1.739012,0.880156\H,-1.947031,-0.549488,-1.71978\
 H,-3.204706,0.105294,-0.652132\H,-0.67984,-2.462779,-0.79078\H,-0.5870
 5,-2.485409,0.974413\H,-1.772163,1.053131,1.726763\H,-2.725724,2.15651
 2,0.723367\H,-1.053454,2.555217,1.139441\\Version=ES64L-G16RevA.03\Sta
 te=1-A\HF=-463.7270846\RMSD=1.239e-09\RMSF=4.846e-06\ZeroPoint=0.19740
 92\Thermal=0.2064721\Dipole=0.2263472,0.1896665,-0.3080942\DipoleDeriv
 =-0.0070004,0.0557477,-0.0064327,0.0847898,0.0120688,-0.0273066,0.0040
 59,-0.0202316,-0.1367021,0.0359808,-0.0270109,0.0287319,-0.0629989,-0.
 0332922,-0.0276806,0.0162706,-0.0270539,-0.1352782,-0.0846321,0.014230
 8,0.0061013,-0.0166464,0.0955922,-0.0419179,0.0052094,-0.0347044,-0.11
 00475,0.1857478,-0.1163627,-0.0151508,-0.220074,-0.0907776,-0.0235962,
 0.0028346,-0.032516,-0.0927074,-0.0563761,0.1634363,0.0135362,0.174448
 2,-0.0008093,0.0161671,0.005115,0.0101708,-0.0792168,-0.0562227,-0.091
 6985,0.0093963,-0.044225,0.0907938,-0.0467414,0.0180751,-0.0430216,-0.
 1115051,0.0222243,-0.0655919,-0.0037461,0.0144073,0.0641028,-0.0052956
 ,0.004476,-0.0696659,0.1670105,0.3546624,0.0161578,0.0422868,-0.027268
 4,0.5185376,-0.1183278,0.1771116,-0.1542932,0.4731135,-0.7803533,0.124
 1528,-0.0247589,0.1711151,-0.7565201,0.128128,-0.071955,0.1553304,-0.4
 98519,0.7157147,-0.1833342,0.0034587,-0.1901976,0.421608,0.058981,-0.0
 488024,0.0617978,0.3699498,-0.0457153,-0.081942,0.0046734,-0.0910199,-
 0.0041664,0.0193769,0.003266,0.0193708,0.1298332,-0.0971123,0.048923,-
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 1,0.00000012,-0.00000173,-0.00000025,-0.00000203,0.00000101,0.00000128
 \\\@


 "THE TIME HAS COME", THE WALRUS SAID,
 "TO TALK OF MANY THINGS,
 OF SHOES AND SHIPS AND SEALING WAX,
 OF CABBAGES AND KINGS,
 AND WHY THE SEA IS BOILING HOT,
 AND WHETHER PIGS HAVE WINGS."
 Job cpu time:       0 days  7 hours  3 minutes 32.0 seconds.
 Elapsed time:       0 days  0 hours 26 minutes 31.1 seconds.
 File lengths (MBytes):  RWF=    288 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 15:51:40 2021.
